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
8.9385 0.7170 2.2270 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0912 -0.0165 1.2134 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6281 0.9441 0.1095 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7923 0.2420 -0.8990 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5479 -0.3868 -0.3786 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5865 0.5698 0.2608 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3579 -0.1523 0.7580 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5888 -0.8734 -0.3096 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1140 0.0832 -1.3596 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3437 -0.6428 -2.4308 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1596 -1.3378 -1.8311 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7409 -0.3189 -1.1766 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9236 -1.0907 -0.6110 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8467 -0.0737 0.0562 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0264 -0.8528 0.6189 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0061 0.0702 1.3050 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5698 1.1159 0.3818 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3107 0.4926 -0.7844 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4079 -0.3230 -0.3624 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.5120 0.1443 0.3868 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5567 1.3469 0.7147 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.5723 -0.7503 0.7686 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.5944 -0.3060 1.4650 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3127 1.0324 3.1086 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3976 1.6331 1.8020 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7089 0.0337 2.6347 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6257 -0.8417 0.7247 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2304 -0.4395 1.7586 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1678 1.8472 0.5378 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5635 1.2744 -0.3915 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5824 0.9508 -1.7259 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4111 -0.5684 -1.3508 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0222 -0.8598 -1.2348 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7763 -1.1995 0.3317 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2760 1.3515 -0.4394 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0116 1.0879 1.1452 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7168 0.6087 1.2454 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7057 -0.9180 1.5119 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1411 -1.6822 -0.7846 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6912 -1.3086 0.2230 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0337 0.5497 -1.8114 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4798 0.8601 -0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9652 -1.4293 -2.9143 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9475 0.0737 -3.1931 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4279 -2.1387 -1.1063 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4326 -1.8448 -2.6526 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2674 0.1570 -0.2874 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1053 0.4165 -1.9126 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5207 -1.7740 0.1637 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4746 -1.6513 -1.3754 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1853 0.6633 -0.6973 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3529 0.4241 0.9026 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6861 -1.5749 1.3992 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5632 -1.3985 -0.1792 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5138 0.5226 2.1839 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8566 -0.5617 1.6336 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2768 1.7645 0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7602 1.7912 0.0308 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6577 1.2871 -1.4988 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5829 -0.1042 -1.3661 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4140 -1.3541 -0.6187 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5445 -1.7876 0.4918 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.6636 0.7430 1.7683 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.4181 -0.9366 1.7778 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