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
7.1174 0.6317 3.3260 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9848 0.2282 2.1771 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2416 0.1328 0.8751 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1328 -0.8904 0.9663 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3695 -1.0037 -0.3356 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7321 0.2847 -0.7413 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9927 0.1221 -2.0360 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9103 -0.9118 -1.9260 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8847 -0.5638 -0.8742 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2189 0.7505 -1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5114 0.7475 -2.5032 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5632 -0.2925 -2.5820 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5917 -0.0042 -1.4870 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6967 -1.0240 -1.5463 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6950 -0.7596 -0.4557 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3047 0.5889 -0.6137 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3351 0.9447 0.4344 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4658 -0.0407 0.3797 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4578 0.3266 1.3867 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.6491 -0.4323 1.5684 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7644 -1.4369 0.7886 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.6567 -0.1090 2.5486 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.5958 0.9085 3.3776 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0776 0.8689 3.0562 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0600 -0.1685 4.1040 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5630 1.5362 3.8052 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8506 0.9204 2.0607 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4543 -0.7640 2.4365 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8570 1.1395 0.6133 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9847 -0.1264 0.0924 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5893 -1.8623 1.2001 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4141 -0.5330 1.7312 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9902 -1.4294 -1.1278 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5333 -1.7349 -0.1501 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9933 0.6185 0.0194 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4602 1.1101 -0.8783 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6190 1.1115 -2.3370 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6955 -0.2515 -2.8376 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3266 -1.9069 -1.7720 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3385 -0.9670 -2.8901 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1244 -1.3601 -0.8816 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2962 -0.5030 0.1446 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9602 1.5861 -1.1950 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5165 0.9877 -0.3842 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1997 0.6867 -3.3743 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0311 1.7639 -2.6043 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1768 -1.3144 -2.5180 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1163 -0.1114 -3.5451 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9101 1.0351 -1.6777 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1720 -0.0554 -0.4756 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1965 -1.0174 -2.5393 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2040 -2.0181 -1.4359 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4645 -1.5765 -0.4201 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1046 -0.8134 0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8516 0.6568 -1.5997 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4986 1.3622 -0.6056 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7623 1.9350 0.1094 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8867 1.0295 1.4463 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0946 -1.0771 0.5888 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8775 -0.0420 -0.6391 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2963 1.1611 1.9887 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5305 -0.7552 2.6053 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7427 1.5632 3.3428 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3699 1.1183 4.0977 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