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
-8.3158 -0.2061 -1.2585 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9431 0.4549 -1.1519 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6183 1.2382 -2.3587 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3192 1.9310 -2.3519 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0357 1.2583 -2.2818 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6238 0.3870 -1.1631 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6525 1.0776 0.1514 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2022 0.2122 1.3176 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7601 -0.2492 1.1977 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4692 -1.0614 2.4304 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0792 -1.6139 2.5076 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2964 -2.5165 1.3636 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6756 -3.0575 1.5634 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7897 -2.0642 1.6154 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9649 -1.2234 0.3918 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1675 -0.2757 0.4921 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4260 -1.0224 0.7157 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6343 -0.1658 0.8386 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9936 0.6355 -0.3218 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1621 1.4347 -0.3001 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8302 1.4115 0.7839 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5769 2.2288 -1.4699 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0700 2.3476 -2.5101 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0182 0.3714 -1.8814 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7629 -0.2446 -0.2138 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2566 -1.2725 -1.5883 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0009 1.1242 -0.2441 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2615 -0.3464 -0.8482 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4663 2.0087 -2.4696 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7771 0.6297 -3.3138 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3556 2.8257 -1.6444 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2903 2.5140 -3.3740 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2362 2.0887 -2.3421 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9083 0.6842 -3.2757 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1007 -0.6101 -1.1366 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5239 0.1034 -1.4173 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0771 2.0406 0.1297 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6969 1.3576 0.4088 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8960 -0.6248 1.4341 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2501 0.8086 2.2389 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0899 0.6520 1.2161 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5384 -0.7989 0.2776 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5504 -0.3434 3.3112 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2729 -1.8091 2.5826 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6613 -0.8070 2.6724 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0610 -2.2620 3.4297 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4025 -3.3464 1.2584 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3438 -1.8829 0.4319 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7408 -3.6423 2.5272 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9223 -3.7973 0.7545 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7206 -2.6779 1.8066 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7117 -1.4166 2.5445 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9362 -1.7834 -0.5302 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0843 -0.4946 0.3272 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1967 0.3143 -0.4407 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9481 0.4347 1.3125 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6236 -1.7322 -0.1595 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4018 -1.6627 1.6500 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5280 -0.8236 1.0158 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5852 0.4880 1.7606 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3609 0.5906 -1.1339 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5574 2.8034 -1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8949 2.6725 -3.5408 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0081 1.6339 -2.5103 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