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
-8.5421 -2.2813 1.3430 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7639 -1.0340 1.7218 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4709 -1.0617 0.8887 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6789 0.1462 1.2314 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3422 0.2454 0.4728 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6023 0.2932 -0.9632 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5445 0.3707 -1.9575 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5926 1.4717 -2.0622 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6809 1.7491 -0.9065 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8239 0.5262 -0.5675 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0700 0.8701 0.6016 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9315 -0.2907 1.0022 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8248 -0.7437 -0.1056 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7421 0.3834 -0.5471 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6423 -0.1145 -1.6667 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5363 1.0067 -2.0890 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4207 1.5428 -1.0113 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3452 0.5518 -0.4401 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3720 -0.6295 -0.8509 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2283 0.9413 0.6010 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1585 -0.0183 1.1897 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4554 -1.1642 1.7964 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6460 -2.4093 1.4032 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.1041 -2.1530 0.4008 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2453 -2.4702 2.2010 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8350 -3.1390 1.2629 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3130 -0.1216 1.3609 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5499 -1.0031 2.7922 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9576 -1.9908 1.1825 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8263 -1.1344 -0.1525 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2493 1.0856 1.1594 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3801 0.0515 2.3037 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8211 1.0590 0.9611 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8358 -0.7364 0.7136 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3926 1.0949 -1.1378 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1970 -0.6535 -1.2114 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0572 0.2740 -2.9808 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9193 -0.5953 -1.9693 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0311 2.4255 -2.4712 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8746 1.1884 -2.9082 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1116 2.1324 -0.0028 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9538 2.5463 -1.2960 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2158 0.2618 -1.4548 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4879 -0.3136 -0.2923 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5502 1.1901 1.4883 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6761 1.7574 0.3181 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3131 -1.1419 1.4047 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5731 0.0076 1.8818 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2128 -1.0308 -0.9839 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4581 -1.6148 0.2326 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0897 1.1773 -0.9871 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3016 0.7637 0.3078 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9665 -0.3661 -2.5172 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1434 -1.0361 -1.3730 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8854 1.8243 -2.4721 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1191 0.6465 -2.9722 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8113 2.0227 -0.2197 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0054 2.3999 -1.4609 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1876 1.9442 0.9315 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7228 0.5251 1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9110 -0.3704 0.4787 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7540 -0.9687 2.5983 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1110 -3.2246 1.8730 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3357 -2.6651 0.6052 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