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
8.6752 0.1917 1.2421 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2247 1.1124 0.1107 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2516 2.1118 0.6513 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0626 1.4069 1.2400 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3871 0.5993 0.1741 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1641 -0.1278 0.7054 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4913 -0.9347 -0.3647 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0193 -0.1111 -1.5215 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0472 0.9245 -1.0869 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8363 0.3161 -0.4395 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1437 -0.5981 -1.3986 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0959 -1.1449 -0.6110 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8565 -2.0700 -1.4830 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0388 -2.7730 -0.9605 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2370 -2.0634 -0.4906 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1730 -1.1523 0.6598 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5676 -0.6018 1.0062 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1159 0.1698 -0.1425 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4390 0.7090 0.2176 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.6142 1.6173 1.2803 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5989 1.9922 1.9518 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.9178 2.1375 1.6315 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.0168 1.8027 0.9908 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5034 -0.4268 0.7955 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0241 0.7555 2.1158 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8329 -0.4956 1.4508 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1121 1.6679 -0.3013 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8470 0.4742 -0.7017 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7374 2.7963 1.3918 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8573 2.7362 -0.2058 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3159 2.1680 1.5922 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3855 0.7842 2.1049 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0429 -0.2179 -0.2427 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1552 1.2666 -0.6731 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4565 0.5536 1.2203 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5283 -0.8339 1.4805 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6333 -1.4703 0.0721 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2111 -1.7236 -0.7220 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8825 0.3301 -2.0963 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5415 -0.7872 -2.2596 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7433 1.6096 -1.9246 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4761 1.6285 -0.3237 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1157 -0.2438 0.4807 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1253 1.1100 -0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7648 -1.4517 -1.6769 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2180 -0.0009 -2.2573 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6099 -0.2028 -0.3372 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7198 -1.6778 0.2832 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1957 -1.4532 -2.3836 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1255 -2.8145 -1.9520 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7235 -3.5084 -0.1429 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4299 -3.5190 -1.7529 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7241 -1.5188 -1.3549 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9987 -2.8760 -0.2301 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8413 -1.6732 1.6034 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5656 -0.2476 0.5587 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5187 0.0063 1.9080 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1905 -1.5120 1.1880 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4999 1.0778 -0.3571 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2463 -0.3941 -1.0746 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2712 0.4051 -0.3353 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0036 2.8315 2.4538 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9819 2.2144 1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0597 1.1191 0.1537 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