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
    9.5740   -0.9764    0.8753 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7466   -1.0947   -0.6240 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8402   -0.0706   -1.2767 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4125   -0.4214   -0.8367 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4168    0.5195   -1.4159 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0237    0.1387   -0.9909 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8964    0.1891    0.4858 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4706   -0.1917    0.8710 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4758    0.7505    0.2751 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0930    0.2667    0.7539 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0877    1.2070    0.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3252    0.8927    0.5194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7047   -0.4748    0.0509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0937   -0.8817    0.3604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1533    0.0025   -0.2357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5428   -0.4775    0.1246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5229    0.4783   -0.5225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9255    0.0694   -0.2113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1286   -0.9481    0.5011 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0027    0.8242   -0.7166 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3687    0.4555   -0.4340 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6816    0.4495    1.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0969   -0.6491    1.6316 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2521    0.0611    1.1321 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4990   -1.2700    1.4278 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7577   -1.6552    1.2410 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7968   -0.9817   -0.9446 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3304   -2.0975   -0.9120 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1041    0.9430   -0.9471 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8991   -0.1340   -2.3813 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2072   -1.4489   -1.1866 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4033   -0.3303    0.2806 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5185    0.4994   -2.5404 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6429    1.5847   -1.1199 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7719   -0.9083   -1.3306 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2857    0.7772   -1.5239 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5931   -0.5144    0.9901 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0782    1.1787    0.9283 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4414   -0.2078    1.9679 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3334   -1.2373    0.5052 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6806    1.7787    0.5629 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292    0.5858   -0.8391 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0015   -0.7662    0.4135 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0929    0.4001    1.8483 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3522    2.2381    0.4953 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2485    1.2092   -0.9446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9682    1.6943    0.1078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4178    0.9403    1.6236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5669   -0.5134   -1.0655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0154   -1.1991    0.5322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2649   -0.8897    1.4678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2323   -1.9322    0.0329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0738   -0.1278   -1.3555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0093    1.0624   -0.0457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7076   -0.5922    1.1973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6769   -1.4978   -0.3322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3153    1.4864   -0.1051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4232    0.4689   -1.6203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8245    1.6724   -1.3105 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5223   -0.5735   -0.8410 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0780    1.1159   -0.9731 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5835    1.3474    1.6067 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1997   -1.5510    1.0463 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3308   -0.6733    2.6837 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