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
-6.5181 3.7314 0.2692 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1949 3.2717 -0.2607 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2184 1.7608 -0.5627 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5219 0.9873 0.6867 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5710 -0.4716 0.4093 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2119 -0.9412 -0.1306 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2396 -2.4073 -0.3894 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0185 -3.0029 -0.9170 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8156 -3.0936 -0.0878 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2541 -1.8577 0.4675 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0681 -2.1903 1.1833 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0962 -2.7813 0.2852 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4709 -1.8911 -0.8664 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0293 -0.5726 -0.4647 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2886 -0.6408 0.3589 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7563 0.7676 0.6970 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0023 0.7322 1.5158 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1722 0.0631 0.8680 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5927 0.6603 -0.3609 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0227 2.0138 -0.4018 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0093 2.6454 0.7043 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4586 2.6596 -1.6336 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8548 3.9116 -1.6632 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3292 3.0117 -0.0372 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4949 3.8428 1.3589 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8226 4.7014 -0.2045 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4080 3.4067 0.5071 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8935 3.8152 -1.1665 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9700 1.5363 -1.3453 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2125 1.5352 -0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7418 1.2348 1.4431 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5317 1.3592 1.0316 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7204 -1.0560 1.3519 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3449 -0.7344 -0.3327 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4596 -0.5519 0.5302 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0638 -0.4158 -1.1393 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0974 -2.6446 -1.1120 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5420 -2.9185 0.5739 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2529 -4.0489 -1.3428 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7221 -2.4817 -1.9118 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0187 -3.7773 0.8197 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0166 -3.6964 -0.6348 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2022 -0.9805 -0.1533 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8956 -1.5934 1.3884 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4419 -1.2762 1.6873 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1987 -2.9673 1.9435 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8713 -3.7974 -0.0405 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0326 -2.8776 0.9243 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2670 -2.4318 -1.4368 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6284 -1.7443 -1.5555 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1971 0.0693 -1.3411 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2388 -0.0501 0.1442 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1123 -1.1241 -0.2023 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1467 -1.2340 1.2837 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8062 1.4107 -0.1803 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9517 1.1925 1.3551 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2331 1.7356 1.9128 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7620 0.1150 2.4325 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9858 0.0415 1.6374 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9241 -1.0137 0.7065 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5937 0.1140 -1.2604 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4531 2.0878 -2.5422 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1657 4.3316 -2.6083 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8695 4.5205 -0.7426 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