Monomers
N-Octadecylacrylamide
Identifiers
IUPAC name
N-octadecylprop-2-enamide
InchI
InChI=1S/C21H41NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-21(23)4-2/h4H,2-3,5-20H2,1H3,(H,22,23)
InchI Key
CNWVYEGPPMQTKA-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCCCCCCCNC(=O)C=C
Canonical SMILES
CCCCCCCCCCCCCCCCCCNC(=O)C=C
Isomeric SMILES
CCCCCCCCCCCCCCCCCCNC(=O)C=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
-7.5743 2.0142 1.7512 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4978 1.3959 2.5826 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4554 0.6648 1.7587 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0542 -0.4472 0.9557 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0070 -1.1770 0.1396 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3068 -0.2907 -0.8276 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2869 -1.0403 -1.6446 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2165 -1.6650 -0.7768 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1986 -2.4013 -1.5891 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5053 -1.5031 -2.5418 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2112 -0.3131 -2.0812 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3719 -0.4609 -1.1808 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1065 -0.9783 0.1698 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4090 -1.0924 0.9934 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0825 0.2119 1.1660 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3419 0.1070 2.0190 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3086 -0.8198 1.3712 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6795 -0.3262 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2944 0.9946 0.0525 N 0 0 0 0 0 0 0 0 0 0 0 0
6.7297 1.6693 -1.1178 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5373 1.0254 -2.2045 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3423 2.9697 -1.1361 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5604 3.6672 -0.0546 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5482 3.1340 1.8791 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5611 1.7000 2.1263 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4633 1.8415 0.6670 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9164 0.7062 3.3286 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9430 2.1860 3.1558 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9064 1.3887 1.1084 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7314 0.2216 2.4740 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5062 -1.1900 1.6313 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8316 -0.0881 0.2491 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4909 -2.0157 -0.3995 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2917 -1.6034 0.8736 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7365 0.4765 -0.2593 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0019 0.1863 -1.5529 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8459 -0.3783 -2.4270 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8221 -1.8448 -2.2069 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7469 -2.3876 -0.0898 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7080 -0.8970 -0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5730 -3.0598 -1.0141 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8805 -3.1136 -2.2362 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2566 -1.1817 -3.3579 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2027 -2.1543 -3.1812 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5449 0.3709 -1.5378 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5285 0.3080 -2.9887 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2021 -1.0361 -1.6968 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8378 0.5829 -1.0268 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5739 -1.9086 0.2873 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5575 -0.1393 0.7353 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0495 -1.8213 0.4250 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1333 -1.5093 1.9728 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4052 0.9454 1.6314 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3556 0.6218 0.1627 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0017 -0.2908 3.0028 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7535 1.1304 2.1104 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8527 -1.8223 1.2688 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2350 -0.9704 1.9769 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4976 -1.0103 -0.3721 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8851 -0.3719 -0.7382 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4177 1.4565 0.9776 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6389 3.3971 -2.0828 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0202 4.6432 -0.0683 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2857 3.2926 0.9214 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 1 0
19 20 1 0
20 21 2 0
20 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
18 59 1 0
18 60 1 0
19 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