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
8.4019 -1.7087 -0.3745 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5915 -0.6464 -1.0518 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1907 -1.0772 -1.3808 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3953 -1.4706 -0.1782 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2502 -0.3553 0.8214 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4606 -0.7131 2.0274 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0940 -1.2013 1.9097 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9967 -0.4309 1.3163 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1074 -0.1253 -0.1148 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9042 0.6475 -0.6899 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7379 1.9443 -0.0232 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3133 2.8684 -0.4503 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7399 2.5811 -0.3545 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3279 1.4403 -1.0848 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8601 1.3923 -0.9083 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2701 1.2485 0.5149 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7461 1.1897 0.7236 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4450 0.0902 0.0718 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8526 -0.7716 -0.6112 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.8568 -0.0144 0.2130 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.5720 -1.0986 -0.4114 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1614 -2.3836 0.1619 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3207 -2.4877 1.1562 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1252 -2.6979 -0.7438 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3285 -1.5873 0.7242 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4905 -1.5688 -0.6228 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6075 0.3234 -0.4958 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0971 -0.4200 -2.0280 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2800 -1.9890 -2.0263 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7156 -0.3100 -1.9898 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8783 -2.3396 0.3186 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3960 -1.8012 -0.5114 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3179 -0.1115 1.2105 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9507 0.6083 0.4119 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0875 -1.4874 2.5916 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4900 0.2171 2.6898 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7511 -1.4341 2.9888 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0727 -2.2724 1.4659 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9855 -0.9437 1.4817 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8840 0.5034 1.9507 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0422 -1.1186 -0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0088 0.3691 -0.4281 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0628 -0.0291 -0.6668 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2244 0.8505 -1.7567 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7269 2.5136 -0.1428 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7080 1.8159 1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1470 3.8292 0.1716 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0366 3.2748 -1.4863 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3605 3.5274 -0.4948 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9492 2.3734 0.7603 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1541 1.5471 -2.1680 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0280 0.4325 -0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2370 2.3651 -1.3107 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1732 0.5313 -1.5301 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7321 0.4211 0.9888 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9222 2.1773 1.0573 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2611 2.1405 0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9049 1.1174 1.8402 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4052 0.6935 0.7735 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6786 -0.9318 -0.2359 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4100 -1.0661 -1.5227 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5844 -3.2834 -0.2707 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0448 -3.4934 1.5477 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8669 -1.6646 1.6671 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