Monomers

N-Allylstearamide

Identifiers

IUPAC name
N-prop-2-enyloctadecanamide
InchI
InChI=1S/C21H41NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)22-20-4-2/h4H,2-3,5-20H2,1H3,(H,22,23)
InchI Key
HKKGHYAJDLYYNC-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=C
Canonical SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=C
Isomeric SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=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
    8.7209   -1.2860    0.9569 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7039    0.0902    1.5835 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0965    1.0514    0.5869 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6925    0.6845    0.2043 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7627    0.6674    1.4015 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3631    0.3016    1.0234 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7634    1.2713    0.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3520    0.8865   -0.3422 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2646   -0.4691   -0.9592 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8154   -0.8298   -1.3152 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2370    0.1380   -2.2853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1702   -0.2340   -2.6479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0503   -0.2312   -1.3977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4692   -0.5919   -1.7756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3382   -0.6147   -0.5492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3842    0.7092    0.1481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2590    0.7165    1.3522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6719    0.4204    1.0211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1082    0.2468   -0.1533 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6611    0.3101    2.0547 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0320    0.0204    1.7033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0438   -1.2838    1.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4954   -1.3430   -0.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6841   -1.8143    1.2018 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7341   -1.1649   -0.1457 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8432   -1.8714    1.3119 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7456    0.4363    1.7638 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1534    0.0895    2.5527 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1870    2.1070    0.9263 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7154    0.9803   -0.3349 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7278   -0.3251   -0.2555 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3698    1.3790   -0.5851 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1439   -0.1008    2.1019 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7534    1.6341    1.9056 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3960   -0.7007    0.5134 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497    0.1887    1.9162 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7223    2.2713    0.5039 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3553    1.3358   -0.8880 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0310    1.6505   -1.1056 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6602    0.9503    0.5017 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5869   -1.2539   -0.2450 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8530   -0.5889   -1.8763 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2633   -0.7821   -0.3343 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7503   -1.8771   -1.6546 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8789    0.1921   -3.1887 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2153    1.1790   -1.8542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5820    0.4133   -3.4225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1440   -1.3133   -2.9760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6910   -0.8912   -0.6138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0821    0.8153   -0.9738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8446    0.1549   -2.5210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4588   -1.6041   -2.2363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8489   -1.3787    0.1379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3379   -1.0453   -0.7532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3415    0.9316    0.5347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6090    1.5358   -0.5621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1739    1.6614    1.9268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8728   -0.0934    2.0371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4209    0.4329    3.0558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4640    0.8218    1.0603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6574   -0.0812    2.6062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6884   -2.1661    1.5031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5328   -2.2740   -0.8092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8585   -0.4653   -0.7544 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  2  0
 18 20  1  0
 20 21  1  0
 21 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
 20 59  1  0
 21 60  1  0
 21 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