Monomers

N-Octadecylacrylamide

Identifiers

IUPAC name
N-octadecylprop-2-enamide
InchI
InChI=1S/C21H41NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-21(23)4-2/h4H,2-3,5-20H2,1H3,(H,22,23)
InchI Key
CNWVYEGPPMQTKA-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCCCCCCCNC(=O)C=C
Canonical SMILES
CCCCCCCCCCCCCCCCCCNC(=O)C=C
Isomeric SMILES
CCCCCCCCCCCCCCCCCCNC(=O)C=C
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C21H41NO
Heavy Atom Count
23
Molecular Weight
323.565
Exact Molecular Weight
323.3188
Valence Electrons
136
Radical Electrons
0
tPSA
29.1
MolLogP
6.5501
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 64 63  0  0  0  0  0  0  0  0999 V2000
    7.7506   -0.6754    2.3274 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9572    0.1612    1.3552 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9740   -0.5282    0.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1986    0.2631   -0.9950 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7218    0.4416   -0.5751 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420   -0.8513   -0.4299 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6733   -0.8476    0.0721 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5615   -0.1210   -0.5946 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5866    1.3439   -0.6236 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4443    2.0028   -1.2806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8601    2.0122   -0.6092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4627    0.7257   -0.2482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8906    0.9550    0.3077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7291    1.5893   -0.7438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7971    0.7465   -1.9572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3869   -0.5960   -1.7806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7990   -0.7831   -1.4612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4470   -0.2617   -0.2595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8887   -0.6692    1.0098 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8066   -2.0208    1.4220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2475   -2.9261    0.6338 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2531   -2.4478    2.6846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7808   -1.5740    3.5458 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5228   -0.3944    3.3826 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5753   -1.7426    2.1519 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8364   -0.4958    2.1855 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9104    0.2985    1.6704 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4648    1.1482    1.2224 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6830   -1.5768    0.0581 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0404   -0.5203   -0.3481 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2774   -0.1635   -2.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6097    1.2931   -1.0264 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6872    1.1477    0.2304 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3165    0.9280   -1.5290 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6658   -1.5272    0.2609 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1077   -1.3815   -1.4320 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6563   -0.5255    1.1836 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -1.9586    0.2104 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6322   -0.5309   -0.1979 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5020   -0.5059   -1.7078 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6471    1.6626    0.4852 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5002    1.8342   -1.0286 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3257    1.5621   -2.3546 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7363    3.0835   -1.5991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5813    2.6712   -1.2048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6822    2.5827    0.3812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5325   -0.0127   -1.0391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9408    0.2762    0.6665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7398    1.6074    1.1918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2580   -0.0201    0.6189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7527    1.7028   -0.3017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4587    2.6546   -0.9693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7910    0.6817   -2.4637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4383    1.3187   -2.7103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7767   -1.1659   -0.9860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0874   -1.2060   -2.7093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1061   -1.8870   -1.6411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3795   -0.3068   -2.3451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5220   -0.7206   -0.2929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6917    0.8050   -0.2606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5359    0.0809    1.6353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2234   -3.4976    2.9315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3669   -1.9106    4.4929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7725   -0.5262    3.3807 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  2  3
  1 24  1  0
  1 25  1  0
  1 26  1  0
  2 27  1  0
  2 28  1  0
  3 29  1  0
  3 30  1  0
  4 31  1  0
  4 32  1  0
  5 33  1  0
  5 34  1  0
  6 35  1  0
  6 36  1  0
  7 37  1  0
  7 38  1  0
  8 39  1  0
  8 40  1  0
  9 41  1  0
  9 42  1  0
 10 43  1  0
 10 44  1  0
 11 45  1  0
 11 46  1  0
 12 47  1  0
 12 48  1  0
 13 49  1  0
 13 50  1  0
 14 51  1  0
 14 52  1  0
 15 53  1  0
 15 54  1  0
 16 55  1  0
 16 56  1  0
 17 57  1  0
 17 58  1  0
 18 59  1  0
 18 60  1  0
 19 61  1  0
 22 62  1  0
 23 63  1  0
 23 64  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers