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
5.7320 -1.2653 1.6275 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4877 0.0236 1.5795 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1908 0.2530 0.2851 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3012 0.3139 -0.8994 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3216 1.4485 -0.7675 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4184 1.5773 -1.9542 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5704 0.4588 -2.3510 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5052 -0.0892 -1.5064 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7976 -0.6864 -0.1986 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5221 -1.2476 0.4128 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5139 -0.1726 0.6070 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7620 -0.7195 1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7200 0.4150 1.4426 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0973 1.0653 0.1489 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0801 2.2009 0.3883 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3521 1.7384 1.0411 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0309 0.7274 0.1724 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2864 0.2186 0.7352 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7949 0.5516 1.8339 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.0096 -0.7640 -0.0547 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.2369 -1.3183 0.4034 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.8149 -2.2812 -0.5176 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2984 -2.6355 -1.6621 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2269 -1.9886 2.3215 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7002 -1.0844 1.9628 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7351 -1.7925 0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8500 0.9016 1.8188 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2503 -0.0039 2.4001 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7110 1.2515 0.3659 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9755 -0.5493 0.1921 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9305 0.4561 -1.8035 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7576 -0.6526 -1.0672 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8221 1.4811 0.1878 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0179 2.3844 -0.8313 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1299 1.8589 -2.8122 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8031 2.5320 -1.8785 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2521 -0.3856 -2.7301 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0487 0.7777 -3.3296 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9611 -0.8685 -2.1358 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7142 0.7071 -1.3590 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5270 -1.5261 -0.2231 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1915 0.0670 0.5161 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0851 -2.0189 -0.2561 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7481 -1.6864 1.4174 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1486 0.1028 -0.4301 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8285 0.7023 1.1682 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4316 -1.1422 2.2372 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1745 -1.5535 0.6867 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5964 0.0228 1.9986 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3005 1.2176 2.0976 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4181 0.3751 -0.6353 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1740 1.5895 -0.2416 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5404 2.9324 1.0421 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2741 2.6524 -0.6076 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9805 2.6551 1.1861 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1183 1.3727 2.0462 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1910 1.1756 -0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3432 -0.1280 0.0417 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6071 -1.0516 -0.9633 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9648 -0.4404 0.4497 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1645 -1.7077 1.4555 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7705 -2.7430 -0.2102 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3952 -2.3101 -2.1328 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8479 -3.3950 -2.2852 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