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
-8.2237 0.6898 0.6324 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0422 0.4790 2.0882 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7541 -0.0904 2.5568 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3759 -1.4370 2.0823 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1450 -1.6305 0.6332 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9885 -0.7625 0.1272 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8371 -1.0177 -1.3394 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7342 -0.2286 -1.9707 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3865 -0.5103 -1.3829 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3830 0.3727 -2.1374 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0197 0.1449 -1.5969 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0003 0.9980 -2.3234 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4191 0.8575 -1.8780 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6329 1.2054 -0.4332 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0481 1.0699 0.0146 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5777 -0.3095 -0.1367 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9974 -0.4824 0.3043 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2555 -0.1626 1.7296 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6477 -0.3750 2.0188 N 0 0 0 0 0 0 0 0 0 0 0 0
8.7364 0.3008 1.4185 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4777 1.1729 0.5537 O 0 0 0 0 0 0 0 0 0 0 0 0
10.1314 -0.0050 1.7922 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1176 0.6366 1.2198 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3250 0.8526 0.0494 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9157 -0.0999 0.2484 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8581 1.6391 0.5237 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1618 1.4599 2.6469 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8997 -0.1277 2.5023 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8373 -0.1515 3.6915 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9378 0.6681 2.4102 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1987 -2.1421 2.3816 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4739 -1.8093 2.6279 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0640 -1.5114 0.0503 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8687 -2.7199 0.4958 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0754 -1.2033 0.6297 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0568 0.2769 0.4300 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7944 -0.6779 -1.8260 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7260 -2.0841 -1.5416 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9527 0.8632 -1.9082 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7035 -0.5033 -3.0498 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3840 -0.1117 -0.3351 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1200 -1.5644 -1.4503 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6666 1.4385 -2.0362 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3777 0.1375 -3.2213 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0815 0.2768 -0.5189 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2532 -0.9372 -1.8135 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9796 0.7919 -3.4236 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7007 2.0742 -2.2352 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6876 -0.2324 -2.0068 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0605 1.4054 -2.5684 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9740 0.5162 0.1729 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2406 2.2212 -0.2302 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1371 1.4882 1.0264 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6688 1.7458 -0.6439 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5356 -0.5770 -1.2188 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9380 -1.0263 0.4226 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6805 0.1019 -0.3357 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2906 -1.5563 0.1423 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6628 -0.7698 2.4426 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0745 0.9404 1.9152 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8833 -1.1094 2.7523 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3053 -0.7487 2.5271 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1487 0.4484 1.4592 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9036 1.4011 0.4624 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