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
    8.0336   -1.9152    0.7637 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9563   -2.9584    0.6472 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6122   -2.2831    0.8452 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5739   -1.6505    2.2054 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2524   -0.9648    2.4558 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0168    0.1339    1.4161 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7019    0.8246    1.6600 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4366    1.9087    0.6658 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3822    1.4306   -0.7584 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1116    2.5403   -1.7199 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8048    3.2481   -1.4729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3085    2.2175   -1.6043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6593    2.8408   -1.3763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7282    1.8040   -1.5448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5516    0.6985   -0.5694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6196   -0.3896   -0.6642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9523    0.1537   -0.4122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0674   -0.8091   -0.4671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7693   -2.0083   -0.7254 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4155   -0.4869   -0.2551 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4640   -1.5031   -0.3274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2196   -2.5532    0.6739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0952   -2.8236    1.6313 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6162   -0.8891    0.5496 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3546   -1.8932    1.8239 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8952   -2.0925    0.1021 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9785   -3.3795   -0.3961 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1473   -3.7554    1.3775 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5720   -1.4978    0.0346 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8064   -3.0280    0.6993 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6573   -2.4828    2.9508 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4264   -0.9572    2.2727 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4177   -1.6899    2.3952 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2404   -0.4932    3.4589 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9772   -0.2936    0.3956 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8364    0.8650    1.4533 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7020    1.2611    2.6785 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8623    0.0790    1.6069 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4525    2.3752    0.9359 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2378    2.6822    0.7165 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4124    1.0406   -1.0226 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6755    0.5801   -0.8939 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9719    3.2458   -1.6716 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1191    2.0879   -2.7516 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6849    4.0453   -2.2163 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8336    3.7008   -0.4849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1414    1.4698   -0.7732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3092    1.7309   -2.5913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6296    3.2203   -0.3097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8225    3.7340   -2.0195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5880    1.4009   -2.5935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7477    2.2391   -1.5570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5792    0.1569   -0.7910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4497    1.0357    0.4743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4612   -0.8782   -1.6409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3211   -1.1493    0.1014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9667    0.6000    0.6136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2226    0.9841   -1.0955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6413    0.5056   -0.0438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4621   -1.0715   -0.2578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3199   -1.9865   -1.3381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3015   -3.1279    0.6373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9187   -3.5919    2.3656 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0267   -2.2378    1.6654 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