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
    8.6752    0.1917    1.2421 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2247    1.1124    0.1107 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2516    2.1118    0.6513 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0626    1.4069    1.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3871    0.5993    0.1741 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1641   -0.1278    0.7054 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4913   -0.9347   -0.3647 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0193   -0.1111   -1.5215 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0472    0.9245   -1.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8363    0.3161   -0.4395 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1437   -0.5981   -1.3986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0959   -1.1449   -0.6110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8565   -2.0700   -1.4830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0388   -2.7730   -0.9605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2370   -2.0634   -0.4906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1730   -1.1523    0.6598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5676   -0.6018    1.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1159    0.1698   -0.1425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4390    0.7090    0.2176 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6142    1.6173    1.2803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5989    1.9922    1.9518 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9178    2.1375    1.6315 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0168    1.8027    0.9908 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5034   -0.4268    0.7955 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0241    0.7555    2.1158 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8329   -0.4956    1.4508 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1121    1.6679   -0.3013 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8470    0.4742   -0.7017 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7374    2.7963    1.3918 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8573    2.7362   -0.2058 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3159    2.1680    1.5922 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3855    0.7842    2.1049 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0429   -0.2179   -0.2427 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1552    1.2666   -0.6731 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4565    0.5536    1.2203 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5283   -0.8339    1.4805 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6333   -1.4703    0.0721 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2111   -1.7236   -0.7220 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8825    0.3301   -2.0963 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5415   -0.7872   -2.2596 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7433    1.6096   -1.9246 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4761    1.6285   -0.3237 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1157   -0.2438    0.4807 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1253    1.1100   -0.0940 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7648   -1.4517   -1.6769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2180   -0.0009   -2.2573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6099   -0.2028   -0.3372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7198   -1.6778    0.2832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1957   -1.4532   -2.3836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1255   -2.8145   -1.9520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7235   -3.5084   -0.1429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4299   -3.5190   -1.7529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7241   -1.5188   -1.3549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9987   -2.8760   -0.2301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8413   -1.6732    1.6034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5656   -0.2476    0.5587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5187    0.0063    1.9080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1905   -1.5120    1.1880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4999    1.0778   -0.3571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2463   -0.3941   -1.0746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2712    0.4051   -0.3353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0036    2.8315    2.4538 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9819    2.2144    1.2830 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0597    1.1191    0.1537 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