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
9.5740 -0.9764 0.8753 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7466 -1.0947 -0.6240 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8402 -0.0706 -1.2767 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4125 -0.4214 -0.8367 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4168 0.5195 -1.4159 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0237 0.1387 -0.9909 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8964 0.1891 0.4858 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4706 -0.1917 0.8710 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4758 0.7505 0.2751 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0930 0.2667 0.7539 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0877 1.2070 0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3252 0.8927 0.5194 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7047 -0.4748 0.0509 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0937 -0.8817 0.3604 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1533 0.0025 -0.2357 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5428 -0.4775 0.1246 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5229 0.4783 -0.5225 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9255 0.0694 -0.2113 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1286 -0.9481 0.5011 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.0027 0.8242 -0.7166 N 0 0 0 0 0 0 0 0 0 0 0 0
-10.3687 0.4555 -0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.6816 0.4495 1.0046 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.0969 -0.6491 1.6316 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2521 0.0611 1.1321 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4990 -1.2700 1.4278 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7577 -1.6552 1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7968 -0.9817 -0.9446 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3304 -2.0975 -0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1041 0.9430 -0.9471 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8991 -0.1340 -2.3813 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2072 -1.4489 -1.1866 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4033 -0.3303 0.2806 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5185 0.4994 -2.5404 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6429 1.5847 -1.1199 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7719 -0.9083 -1.3306 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2857 0.7772 -1.5239 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5931 -0.5144 0.9901 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0782 1.1787 0.9283 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4414 -0.2078 1.9679 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3334 -1.2373 0.5052 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6806 1.7787 0.5629 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4292 0.5858 -0.8391 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0015 -0.7662 0.4135 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0929 0.4001 1.8483 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3522 2.2381 0.4953 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2485 1.2092 -0.9446 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9682 1.6943 0.1078 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4178 0.9403 1.6236 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5669 -0.5134 -1.0655 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0154 -1.1991 0.5322 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2649 -0.8897 1.4678 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2323 -1.9322 0.0329 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0738 -0.1278 -1.3555 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0093 1.0624 -0.0457 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7076 -0.5922 1.1973 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6769 -1.4978 -0.3322 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3153 1.4864 -0.1051 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4232 0.4689 -1.6203 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8245 1.6724 -1.3105 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5223 -0.5735 -0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0780 1.1159 -0.9731 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5835 1.3474 1.6067 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.1997 -1.5510 1.0463 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.3308 -0.6733 2.6837 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