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
-7.8170 0.0461 -1.1184 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0433 -1.1314 -0.2446 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1260 -1.3404 0.8969 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6948 -1.6044 0.6288 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0123 -0.5135 -0.1035 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5235 -0.8097 -0.3036 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9106 0.3404 -1.0557 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9830 1.6612 -0.4288 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4334 1.9291 0.8957 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0002 1.7583 1.1965 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3924 0.4152 1.0898 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0914 0.4251 1.4631 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5484 -1.0187 1.2995 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9864 -1.1442 1.6465 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8601 -0.2869 0.7842 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7130 -0.6656 -0.6485 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5678 0.1496 -1.5760 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0150 0.0097 -1.3199 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5183 -0.7599 -0.4574 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9623 0.7751 -2.0714 N 0 0 0 0 0 0 0 0 0 0 0 0
8.3880 0.6698 -1.8537 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6729 1.0512 -0.4391 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2398 0.1923 0.3705 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4545 -0.2099 -2.1448 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2211 0.8628 -0.6764 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8176 0.5637 -1.3597 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0907 -1.0478 0.1859 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1341 -2.0635 -0.8867 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4887 -2.2155 1.5412 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1465 -0.4219 1.5754 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5528 -2.5524 0.0424 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2045 -1.7444 1.6430 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0946 0.4758 0.3372 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3971 -0.4631 -1.1517 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0164 -1.0681 0.6236 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4816 -1.6976 -0.9693 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6191 0.4276 -1.9829 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9911 0.0095 -1.5271 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5040 2.3912 -1.1742 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0692 2.0152 -0.4748 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9933 1.4105 1.7302 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6571 3.0294 1.1459 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4279 2.5324 0.5851 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8509 2.1496 2.2542 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8762 -0.2602 1.8178 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4920 -0.0506 0.1017 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1425 0.6923 2.5350 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6554 1.1394 0.8756 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3441 -1.4196 0.2924 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9041 -1.6794 1.9730 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1274 -0.8133 2.7122 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2714 -2.2161 1.5524 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6156 0.7970 0.8844 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9217 -0.4694 1.1225 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6502 -0.6648 -0.9808 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0309 -1.7389 -0.7681 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2590 1.2122 -1.4916 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3789 -0.1894 -2.6163 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6027 1.4234 -2.7933 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9298 1.4120 -2.4859 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7643 -0.3501 -2.0257 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4057 2.0531 -0.0803 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4438 0.4715 1.3912 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5070 -0.8062 0.0161 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