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
-5.3632 -0.8326 -4.4725 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0238 -0.9673 -3.8015 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9833 -0.1548 -2.5013 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0775 -0.7178 -1.6208 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1542 -0.0072 -0.2958 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8574 -0.1226 0.4816 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0494 0.6157 1.7710 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8705 0.6119 2.6870 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6569 1.2376 2.0733 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4798 1.2359 3.0100 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0592 -0.1361 3.4357 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1290 -0.0943 4.3732 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3258 0.5537 3.7349 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7483 -0.2094 2.4902 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9573 0.4441 1.8477 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3801 -0.3093 0.6125 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5745 0.3346 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0149 -0.4030 -1.2604 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9428 -0.4209 -2.2494 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0740 -1.0437 -3.5012 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1863 -1.6038 -3.7461 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0594 -1.1055 -4.5357 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8895 -0.5494 -4.3506 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0843 -1.5407 -4.0111 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2438 -0.9727 -5.5531 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7423 0.2098 -4.2846 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1760 -0.6690 -4.4265 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8814 -2.0349 -3.4768 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9851 -0.2379 -2.0689 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2123 0.8894 -2.7682 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0343 -0.5318 -2.1473 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9928 -1.7945 -1.4682 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9389 -0.5061 0.3001 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4270 1.0480 -0.3837 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5729 -1.1825 0.6288 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0141 0.3563 -0.0666 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9291 0.1767 2.2792 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2456 1.6900 1.4975 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1571 1.2345 3.5729 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6891 -0.3995 3.0720 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8345 2.3039 1.7860 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4201 0.6753 1.1331 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3463 1.7578 2.4777 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7690 1.8452 3.8942 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9065 -0.6073 3.9970 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1359 -0.7862 2.5828 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8295 0.5657 5.2275 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3588 -1.0704 4.8073 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1400 0.5258 4.5083 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0915 1.6099 3.5111 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9016 -0.1823 1.7752 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9984 -1.2290 2.8171 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7893 1.5031 1.6218 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8050 0.3940 2.5801 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6684 -1.3493 0.8812 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5302 -0.3476 -0.0919 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2686 1.3863 -0.2948 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4344 0.3907 0.6736 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2650 -1.4408 -0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8690 0.1407 -1.7121 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0608 0.0450 -2.0106 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2443 -1.6097 -5.4794 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6683 -0.0441 -3.4365 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1442 -0.6021 -5.1266 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