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
8.9687 -0.7980 -0.8321 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0767 -0.4463 0.3578 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4331 0.9112 0.1255 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5533 1.2769 1.2887 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4546 0.2696 1.4904 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5820 0.1665 0.2701 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9214 1.4789 -0.0781 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0794 1.2730 -1.3062 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9980 0.2384 -1.1239 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1081 0.7157 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0193 -0.2569 0.2806 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8969 -0.4322 -0.9400 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0261 -1.3926 -0.6968 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9314 -0.9236 0.4323 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0503 -1.9080 0.6483 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9163 -2.1042 -0.5406 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5939 -0.8440 -1.0129 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4897 -0.2421 0.0048 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7174 -0.7002 1.1325 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.1611 0.9840 -0.3344 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.0449 1.6208 0.6088 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.1828 0.7474 0.9944 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.4245 1.1499 0.7544 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4369 0.1582 -1.1999 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3478 -1.2731 -1.6054 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7839 -1.4356 -0.4724 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6775 -0.4500 1.2798 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2539 -1.2069 0.3652 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8736 0.8626 -0.8152 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2204 1.6973 0.0246 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1479 2.3017 1.1631 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2039 1.3162 2.2136 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8097 0.6668 2.3195 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8524 -0.7133 1.7474 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7402 -0.5592 0.4798 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1361 -0.1705 -0.6292 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7379 2.2327 -0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3529 1.9148 0.7627 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5485 2.2456 -1.4841 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6717 1.0800 -2.2108 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3466 -0.7779 -0.9495 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3707 0.3087 -2.0478 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6936 0.7618 0.9703 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6492 1.6871 -0.2157 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4368 -1.2235 0.5847 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5753 0.1202 1.1453 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2260 0.5569 -1.2634 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2657 -0.8601 -1.7541 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6149 -2.3944 -0.4573 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5780 -1.4984 -1.6539 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2670 0.0999 0.2572 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3112 -0.9306 1.3551 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6304 -1.5852 1.5304 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5468 -2.8587 0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4256 -2.5803 -1.3978 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7328 -2.8230 -0.2360 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1865 -1.0394 -1.9364 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8521 -0.0625 -1.3133 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9935 1.3997 -1.2763 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4056 2.5754 0.1767 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5042 1.9089 1.5489 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9948 -0.1957 1.4608 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.6177 2.1049 0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.2846 0.5474 1.0178 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