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
9.1326 -1.2788 0.4910 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9761 -1.8335 1.2746 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9537 -0.7156 1.4762 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7754 -1.2447 2.2637 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7797 -0.1548 2.4641 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2453 0.4081 1.1720 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5626 -0.6699 0.3613 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0152 -0.1436 -0.9377 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0052 0.9368 -0.7292 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4801 1.4351 -2.0603 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4618 2.5248 -1.8247 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7209 2.0392 -1.0023 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4157 0.9169 -1.7024 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5745 0.4053 -0.9138 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6132 1.4625 -0.6705 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7847 0.9459 0.1286 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4415 -0.1634 -0.5944 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6192 -0.7288 0.1057 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9294 -0.2225 1.2101 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.4060 -1.7906 -0.3867 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.5570 -2.3315 0.2904 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.6560 -1.3819 0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.6919 -0.1554 0.0147 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0974 -1.7753 0.7703 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2236 -0.2024 0.7594 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9278 -1.3589 -0.5788 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3105 -2.1364 2.2781 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4999 -2.6628 0.7188 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4726 0.0607 2.0727 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6474 -0.2813 0.5169 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3267 -2.1388 1.7926 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1299 -1.5738 3.2660 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3122 0.6939 2.9752 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9494 -0.4740 3.1283 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5001 1.1985 1.4921 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0217 0.9199 0.6039 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3251 -1.4526 0.1655 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7754 -1.1365 0.9833 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8212 0.2427 -1.5924 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5632 -1.0304 -1.4639 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1635 0.5231 -0.1401 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5219 1.7732 -0.1947 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1468 0.6243 -2.7054 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3452 1.9379 -2.5713 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0614 2.9319 -2.7616 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9699 3.3090 -1.2158 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4014 2.9374 -0.9297 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4553 1.7583 0.0161 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8016 1.2366 -2.6980 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6557 0.1202 -1.9053 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0079 -0.4496 -1.5134 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2189 -0.0211 0.0524 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9987 1.7586 -1.6888 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1399 2.3414 -0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3521 0.6208 1.1150 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4468 1.7960 0.3767 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7232 0.0807 -1.6315 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7076 -1.0203 -0.6541 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1068 -2.1906 -1.3090 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8914 -3.2713 -0.1965 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2156 -2.6513 1.3188 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5611 -1.7185 1.0105 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8642 0.2632 -0.5355 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5419 0.5198 0.1669 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