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
-6.3076 1.7928 -2.3934 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6150 1.1317 -1.1680 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6354 1.1231 -0.1027 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3345 0.5963 1.2264 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9565 -0.8043 1.4479 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7436 -1.3605 0.8273 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4598 -0.6381 1.1868 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1761 -0.6456 2.6420 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9121 0.1051 2.9374 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7584 -0.5259 2.2318 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5487 0.1830 2.5196 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6515 -0.5384 1.7782 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4759 -0.5719 0.3071 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6013 -1.2949 -0.3492 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9059 -0.5959 -0.0493 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0318 -1.3480 -0.7372 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9405 -1.4299 -2.2010 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9621 -0.2245 -3.0484 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0952 0.6004 -3.1140 N 0 0 0 0 0 0 0 0 0 0 0 0
6.6814 1.3552 -2.1084 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2136 1.3857 -0.9571 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8906 2.1680 -2.3320 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4030 2.8582 -1.3610 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4319 2.8639 -2.1813 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3289 1.3566 -2.4301 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7765 1.5539 -3.3143 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2387 0.1902 -1.5439 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7456 1.7876 -0.9699 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6138 0.6754 -0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9449 2.2124 0.0419 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6312 1.3193 1.7364 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2909 0.7653 1.8406 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8056 -1.5171 1.1675 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8693 -1.0303 2.5662 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7410 -1.5536 -0.2448 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6010 -2.3939 1.2928 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6609 -1.2655 0.6833 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3749 0.3644 0.7564 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0524 -1.7105 2.9635 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0056 -0.2535 3.2669 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7493 0.1935 4.0349 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0316 1.1712 2.5869 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9549 -0.4068 1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6811 -1.5820 2.5159 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4849 1.2107 2.0586 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7679 0.2838 3.5893 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6061 -0.0939 2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6480 -1.6010 2.1367 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5510 -1.1609 0.0836 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3729 0.4611 -0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6250 -2.3423 0.0671 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4494 -1.4239 -1.4346 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7932 0.4423 -0.3500 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1650 -0.6237 1.0295 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8452 -2.4369 -0.3749 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9961 -1.1221 -0.2895 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7952 -2.1308 -2.5197 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0468 -2.1008 -2.4528 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0861 0.4656 -2.8113 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6521 -0.5902 -4.0932 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5889 0.6658 -4.0718 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3190 2.1646 -3.3090 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2851 3.4553 -1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9496 2.8425 -0.3865 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