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
-5.8290 2.7836 -2.5161 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2612 2.5421 -1.1094 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5886 1.3746 -0.4488 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8284 0.0783 -1.1476 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1559 -1.0728 -0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6076 -1.2850 0.9206 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9272 -2.4508 1.5883 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4223 -2.2909 1.6555 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1311 -1.0511 2.4400 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6657 -0.7561 2.6075 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0535 -0.5664 1.2419 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4370 -0.2517 1.3587 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9440 -0.0831 -0.0395 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4111 0.2454 -0.0376 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1958 -0.8571 0.6047 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6498 -0.5218 0.6055 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1853 -0.3352 -0.7871 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6286 -0.0244 -0.6983 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1818 0.0404 0.4143 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3817 0.1990 -1.8689 N 0 0 0 0 0 0 0 0 0 0 0 0
8.8168 0.5084 -1.7909 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9569 1.7591 -0.9989 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6579 1.7630 0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8271 1.8984 -3.1632 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5852 3.4881 -2.9723 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8690 3.3523 -2.5529 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3615 2.4101 -1.0902 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0459 3.4478 -0.5142 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9429 1.3148 0.5948 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4807 1.5490 -0.4424 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9265 -0.1117 -1.2508 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4018 0.1572 -2.1907 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3975 -2.0078 -1.0514 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0602 -0.9311 -0.5793 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5367 -0.4159 1.5817 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7026 -1.5443 0.8767 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1559 -3.4077 1.0761 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2780 -2.5522 2.6354 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0598 -3.1650 2.2662 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9427 -2.3773 0.6863 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6525 -1.1039 3.4407 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5542 -0.1295 1.9381 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5481 0.1671 3.2102 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2246 -1.6363 3.1318 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5689 0.3197 0.7870 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2136 -1.4174 0.5834 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5368 0.7215 1.8748 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9423 -1.0228 1.9472 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8484 -1.0484 -0.6212 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3463 0.6496 -0.6181 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5282 1.2181 0.4785 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7182 0.3040 -1.1062 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9773 -1.7998 0.0545 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9026 -1.0562 1.6625 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2726 -1.2717 1.1328 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7602 0.4231 1.2094 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6771 0.5189 -1.3236 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0482 -1.2677 -1.3777 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9218 0.1461 -2.8102 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2350 0.5815 -2.8052 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2710 -0.3595 -1.2734 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4792 2.6617 -1.3536 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1379 0.8688 0.4873 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7566 2.6809 0.6996 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