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
   -8.5421   -2.2813    1.3430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7639   -1.0340    1.7218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4709   -1.0617    0.8887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6789    0.1462    1.2314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3422    0.2454    0.4728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6023    0.2932   -0.9632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5445    0.3707   -1.9575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5926    1.4717   -2.0622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6809    1.7491   -0.9065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8239    0.5262   -0.5675 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0700    0.8701    0.6016 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9315   -0.2907    1.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8248   -0.7437   -0.1056 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7421    0.3834   -0.5471 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6423   -0.1145   -1.6667 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5363    1.0067   -2.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4207    1.5428   -1.0113 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3452    0.5518   -0.4401 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3720   -0.6295   -0.8509 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2283    0.9413    0.6010 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1585   -0.0183    1.1897 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4554   -1.1642    1.7964 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6460   -2.4093    1.4032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1041   -2.1530    0.4008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2453   -2.4702    2.2010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8350   -3.1390    1.2629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3130   -0.1216    1.3609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5499   -1.0031    2.7922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9576   -1.9908    1.1825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8263   -1.1344   -0.1525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2493    1.0856    1.1594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3801    0.0515    2.3037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8211    1.0590    0.9611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8358   -0.7364    0.7136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3926    1.0949   -1.1378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1970   -0.6535   -1.2114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0572    0.2740   -2.9808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9193   -0.5953   -1.9693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0311    2.4255   -2.4712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8746    1.1884   -2.9082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1116    2.1324   -0.0028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9538    2.5463   -1.2960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2158    0.2618   -1.4548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4879   -0.3136   -0.2923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5502    1.1901    1.4883 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6761    1.7574    0.3181 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3131   -1.1419    1.4047 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5731    0.0076    1.8818 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2128   -1.0308   -0.9839 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4581   -1.6148    0.2326 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0897    1.1773   -0.9871 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3016    0.7637    0.3078 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9665   -0.3661   -2.5172 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1434   -1.0361   -1.3730 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8854    1.8243   -2.4721 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1191    0.6465   -2.9722 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8113    2.0227   -0.2197 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0054    2.3999   -1.4609 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1876    1.9442    0.9315 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7228    0.5251    1.9970 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9110   -0.3704    0.4787 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7540   -0.9687    2.5983 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1110   -3.2246    1.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3357   -2.6651    0.6052 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