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
9.4401 -0.4573 0.1555 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2180 -0.4648 -0.7729 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0589 -1.1549 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6680 -0.4658 1.1905 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2467 0.9479 1.0029 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0748 1.1294 0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8667 0.3772 0.6839 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7345 0.6066 -0.2559 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4595 -0.1244 0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9928 0.3278 1.5323 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1931 -0.2542 2.1575 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5443 -0.0929 1.5860 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7960 -0.6022 0.2283 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2696 -0.4932 -0.1931 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6724 0.9343 -0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1382 1.0551 -0.5894 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2862 0.5106 -1.9747 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7402 0.6496 -2.3928 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6181 -0.0836 -1.5010 N 0 0 0 0 0 0 0 0 0 0 0 0
-9.0084 -0.0857 -1.7105 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.4354 0.5837 -2.7125 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.9367 -0.7903 -0.8663 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.5409 -1.4838 0.1647 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3532 -0.3019 -0.4356 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4112 -1.4079 0.7113 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2569 0.3685 0.8816 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5268 -1.0092 -1.6714 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0062 0.5782 -1.0174 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2388 -1.2785 -0.7945 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4185 -2.1742 0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8429 -1.0370 1.6512 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5520 -0.4915 1.8687 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9120 1.3121 2.0211 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0946 1.6318 0.7551 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8273 2.1959 -0.0487 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2213 0.6940 -0.9109 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6161 0.8346 1.6759 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0635 -0.6873 0.8107 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9441 0.3130 -1.2897 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4584 1.6974 -0.2978 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7795 -0.0133 -0.6446 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8088 -1.1923 0.3118 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8378 0.3297 2.2923 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7941 1.4527 1.4221 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2740 0.1915 3.2239 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0170 -1.3545 2.4431 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3016 -0.5033 2.3206 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7813 1.0181 1.6025 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3727 -1.5887 -0.0031 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3161 0.1284 -0.4902 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8775 -1.1482 0.4283 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2584 -0.8270 -1.2618 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5206 1.4555 0.8084 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1106 1.5560 -0.9079 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6989 0.4699 0.1676 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4883 2.0973 -0.5057 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6739 1.0572 -2.7123 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0621 -0.5682 -2.0480 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9714 1.7467 -2.3574 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8714 0.2621 -3.4282 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1891 -0.5924 -0.7242 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0023 -0.7510 -1.0842 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5074 -1.5860 0.4657 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2495 -2.0200 0.8066 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