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
8.9554 1.6311 -1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7991 0.8910 -1.8142 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1776 -0.0850 -0.8138 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6867 0.6957 0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0597 -0.1735 1.4243 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8659 -0.9403 0.9292 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7582 -0.0525 0.4331 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6328 -1.0078 -0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4708 -0.2408 -0.5458 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3185 -1.0555 -1.0562 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2576 -1.9398 0.0202 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7321 -1.1424 1.1746 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7227 -0.0910 1.0745 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1079 -0.4147 0.6453 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2596 -0.8693 -0.7285 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5737 -1.2890 -1.2558 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7401 -0.4270 -1.3274 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3646 0.0586 -0.0662 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5538 0.8894 -0.4136 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.3453 1.4850 0.5994 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0275 1.3006 1.7947 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.5024 2.2945 0.2856 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.2078 2.8273 1.2525 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5979 2.4776 -0.5736 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5873 2.0629 -2.0149 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6279 0.9711 -0.6203 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0473 1.6213 -2.1697 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1679 0.3529 -2.7109 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4079 -0.7002 -1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9995 -0.7551 -0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0365 1.5437 0.0834 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5906 1.1610 0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8158 0.4333 2.2959 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8181 -0.9271 1.7392 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4677 -1.5227 1.7860 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1319 -1.6515 0.1402 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3118 0.5401 1.2578 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0405 0.6283 -0.3665 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2891 -1.5888 0.8806 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0468 -1.7619 -0.7230 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8068 0.4123 -1.4098 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1270 0.4337 0.2932 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5145 -0.3883 -1.4210 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6005 -1.6474 -1.9636 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6882 -2.5425 0.3590 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8857 -2.7622 -0.3095 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0823 -1.9499 1.9398 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1826 -0.6669 1.7125 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2787 0.6866 0.3308 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7490 0.5658 2.0164 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6121 -1.1003 1.3985 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6804 0.5667 0.8339 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9001 0.0025 -1.4153 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4775 -1.6386 -0.9749 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3577 -1.6370 -2.3387 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8881 -2.2949 -0.7971 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5666 0.4398 -2.0478 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5686 -1.0380 -1.8416 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7580 0.6054 0.6397 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8317 -0.8511 0.4222 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8061 1.0342 -1.4043 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7733 2.4520 -0.7304 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9309 2.6660 2.2790 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0579 3.4223 1.0281 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