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
    6.7473   -1.5944    3.4117 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8645   -1.3276    2.2120 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5684    0.1453    2.0601 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6896    0.4317    0.8697 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2794    0.0037   -0.4251 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3216    0.3256   -1.5448 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0268    1.7827   -1.6361 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0710    1.9978   -2.7873 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7621    1.2471   -2.6113 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0777    1.7005   -1.3701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2614    1.0016   -1.1181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1055   -0.4603   -0.9707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3171   -1.2721   -0.7004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4002   -1.3522   -1.6871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1233   -0.1424   -2.1177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7758    0.6197   -0.9684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7503   -0.2975   -0.3072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4546    0.3423    0.8342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2455    1.5276    1.1959 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4386   -0.3927    1.5993 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1301    0.1840    2.6938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0800   -0.7562    3.3149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3289   -1.9869    2.9760 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8231   -1.6336    3.1032 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4722   -2.5033    3.9631 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6612   -0.7178    4.0833 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3389   -1.7675    1.3373 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8821   -1.8639    2.3614 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0673    0.5118    2.9775 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5396    0.6736    1.9882 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7084   -0.0607    1.0100 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5765    1.5525    0.8507 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2306    0.5248   -0.6588 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3995   -1.1024   -0.4182 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4073   -0.3005   -1.4617 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7911    0.0133   -2.5202 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5610    2.2144   -0.7540 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9677    2.3037   -1.9183 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5278    1.7681   -3.7536 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8073    3.0893   -2.7781 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1230    1.5829   -3.4772 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8877    0.1746   -2.7314 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8535    2.7734   -1.4094 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6970    1.4663   -0.4756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5916    1.4372   -0.1209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9850    1.3781   -1.8338 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5935   -0.6511   -0.0883 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4925   -0.9167   -1.8218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6890   -0.9565    0.3241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9521   -2.3432   -0.5041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1913   -2.1076   -1.3561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9960   -1.8471   -2.6173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6873    0.4822   -2.8923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0685   -0.5628   -2.6679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0306    1.0491   -0.2783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2854    1.5118   -1.4365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1712   -1.1367    0.1335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4944   -0.6203   -1.0527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5748   -1.3656    1.2613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4583    0.5295    3.5168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6555    1.1302    2.3532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6792   -0.3906    4.1950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8393   -2.4713    2.1624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0563   -2.5746    3.5190 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