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
6.0219 1.9786 3.2155 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9866 1.2527 2.3195 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4095 1.0563 0.9188 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1484 0.2592 0.9559 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6099 0.0447 -0.4286 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3045 1.3503 -1.0801 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7138 1.2604 -2.4262 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4054 0.6657 -2.6906 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1673 1.2572 -2.1902 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8170 1.3747 -0.7768 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6360 0.0932 -0.0191 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4751 -0.7569 -0.6494 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7528 0.0205 -0.6009 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9078 -0.7639 -1.1984 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1232 -2.0322 -0.4389 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2838 -2.7820 -1.0519 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5588 -2.0119 -1.0268 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9911 -1.6920 0.3579 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4075 -2.0835 1.3856 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.1637 -0.8736 0.5740 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.5935 -0.5403 1.9057 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5902 0.2798 2.5852 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4976 0.7074 2.0269 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7581 2.9745 2.7940 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5439 2.1444 4.1819 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1107 1.3898 3.4113 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2312 0.2868 2.7974 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9111 1.8499 2.2424 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1788 0.5158 0.3358 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2484 2.0708 0.4939 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3962 -0.7618 1.3523 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3908 0.7459 1.6149 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4410 -0.4999 -0.9766 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7338 -0.6101 -0.3467 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7552 1.9926 -0.4067 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3271 1.8798 -1.1892 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7030 2.3227 -2.8750 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5263 0.7916 -3.0965 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3661 -0.4402 -2.4398 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2978 0.6317 -3.8357 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9962 2.2517 -2.7468 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3138 0.6430 -2.6728 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5183 1.9933 -0.1616 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1576 1.9697 -0.7181 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3732 0.2910 1.0593 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5272 -0.5225 -0.0757 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5726 -1.6940 -0.0249 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1733 -1.0538 -1.6764 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6955 0.9394 -1.2267 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9726 0.2523 0.4496 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6631 -0.9381 -2.2557 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7864 -0.0939 -1.1663 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1951 -2.6851 -0.4931 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2965 -1.8818 0.6265 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0233 -2.9427 -2.1236 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3802 -3.7955 -0.5874 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4493 -1.0827 -1.6270 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3496 -2.6357 -1.5273 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6663 -0.5474 -0.2630 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7872 -1.5078 2.4348 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5694 0.0082 1.8052 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7918 0.5402 3.6347 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1987 0.5174 1.0104 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7947 1.3135 2.6009 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