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
5.8424 2.2903 2.3353 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8214 1.1895 2.4513 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8628 0.1450 1.4167 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6698 -0.7225 1.2495 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4261 -0.0148 0.8871 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2299 -0.9578 0.6843 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5283 -1.9218 -0.4219 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3736 -2.8606 -0.6815 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0881 -2.1211 -1.0596 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3016 -1.3457 -2.2932 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2120 -0.5820 -2.9018 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4518 0.5404 -2.2398 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1594 0.2957 -0.9746 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2457 -0.7396 -1.0192 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3528 -0.4433 -1.9712 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0866 0.8496 -1.6878 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6876 0.7887 -0.3179 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4446 2.0505 0.0308 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0178 1.9968 1.3343 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.9736 1.0214 1.7490 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3293 0.1689 0.9302 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.5291 1.0097 3.0940 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4047 0.0860 3.4138 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4702 2.5281 1.3329 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4053 3.2439 2.6416 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0238 2.2603 3.1112 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8718 1.6104 2.5585 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6053 0.6567 3.4378 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7601 -0.5317 1.6125 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0972 0.6045 0.4075 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5216 -1.3727 2.1693 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9197 -1.4282 0.4102 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5250 0.5614 -0.0494 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0955 0.7180 1.6822 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3737 -0.2976 0.4647 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9906 -1.4678 1.6420 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4098 -2.5738 -0.1107 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8579 -1.3733 -1.3158 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1569 -3.3668 0.2921 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6610 -3.6027 -1.4471 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7951 -1.6035 -0.1537 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2747 -2.8741 -1.2563 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2560 -0.7081 -2.2197 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6365 -2.1049 -3.0823 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5375 -1.3266 -3.3253 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6483 -0.1594 -3.8828 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2798 1.3954 -2.0219 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1744 1.0822 -2.9491 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5206 0.1339 -0.1093 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7158 1.2840 -0.7427 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6537 -0.8631 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8412 -1.7541 -1.2907 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9842 -0.4577 -3.0401 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0535 -1.3165 -1.9282 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3986 1.7138 -1.7981 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8707 1.0267 -2.4786 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3386 -0.0994 -0.2553 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8200 0.7356 0.4051 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7127 2.8801 -0.0082 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1838 2.2484 -0.7796 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7494 2.6959 2.0623 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2208 1.7635 3.8331 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7151 -0.6549 2.7053 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8182 0.0708 4.4022 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