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
-7.7572 0.0268 0.4016 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4458 1.3311 1.0343 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3172 2.1186 0.5017 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9686 1.4938 0.5981 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7942 0.2177 -0.1172 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3353 -0.2857 -0.0315 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9823 -0.5201 1.3809 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6098 -1.0276 1.6122 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2633 -2.3531 1.1284 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2967 -2.6535 -0.3065 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4324 -1.7297 -1.0996 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0160 -1.8514 -0.6411 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7961 -0.8909 -1.5287 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2552 -0.8843 -1.2083 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5439 -0.4639 0.2202 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0419 0.9110 0.5393 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6720 1.9296 -0.3523 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1235 1.9862 -0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7387 1.3519 0.7161 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8714 2.8085 -1.0440 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2962 2.8892 -0.8932 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8406 1.5229 -1.0725 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5166 0.9504 -0.1014 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.8920 -0.0151 0.2986 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4027 -0.1291 -0.6196 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5603 -0.8699 1.0623 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3724 1.9873 1.0483 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2120 1.1016 2.1242 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4714 2.3939 -0.5898 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3389 3.1288 1.0095 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2150 2.2764 0.3036 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7414 1.3082 1.7011 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1075 0.2321 -1.1715 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3550 -0.6374 0.3760 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2627 -1.1461 -0.6875 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6952 0.5672 -0.4187 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7420 -1.2289 1.8584 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1253 0.4542 1.9644 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3336 -0.8936 2.7220 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9179 -0.2223 1.1443 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1989 -2.5775 1.4882 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9231 -3.1546 1.6286 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7261 -3.7096 -0.3787 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2253 -2.9370 -0.7847 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6848 -0.6573 -1.0077 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4988 -1.9824 -2.1928 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3868 -2.8854 -0.6851 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0941 -1.5211 0.4273 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6713 -1.2265 -2.5767 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3779 0.1122 -1.3584 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6875 -1.9173 -1.3617 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7793 -0.2329 -1.9268 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6157 -0.5322 0.4169 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0418 -1.1854 0.9184 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9210 0.9072 0.4491 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2991 1.1078 1.6135 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2243 2.9511 -0.1977 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4229 1.6666 -1.4141 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3925 3.3411 -1.7811 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6948 3.5689 -1.6755 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5935 3.3152 0.0958 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6798 1.0052 -1.9983 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6975 1.4404 0.8415 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9132 -0.0472 -0.2341 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