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
-8.9592 0.2934 1.0737 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9628 -0.8212 0.7921 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3532 -0.6512 -0.5835 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6243 0.6586 -0.7202 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5020 0.8010 0.2601 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4466 -0.2573 0.1375 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8138 -0.2361 -1.2316 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7530 -1.2862 -1.3826 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6431 -1.1074 -0.3937 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9615 0.2365 -0.5443 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1442 0.4123 0.4420 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2401 -0.6134 0.3314 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2782 -0.3044 1.3867 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4281 -1.2869 1.3553 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1464 -1.2949 0.0479 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7086 0.0791 -0.2299 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4533 0.0987 -1.5702 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9732 1.5113 -1.7499 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8472 1.8083 -0.6564 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0312 1.1108 -0.3314 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3575 0.1333 -1.0684 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8555 1.4921 0.8074 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9518 0.8064 1.0664 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.7322 0.2534 0.2842 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4445 0.0805 2.0491 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4440 1.2654 1.1161 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1663 -0.8699 1.5627 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4799 -1.7993 0.8237 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1886 -0.6655 -1.3053 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6434 -1.4721 -0.7775 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2369 0.7342 -1.7448 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3279 1.5209 -0.5751 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9448 0.7371 1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0149 1.7917 0.1524 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6757 -0.1226 0.9229 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9406 -1.2499 0.3221 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5833 -0.4008 -2.0296 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4249 0.7960 -1.4072 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3575 -1.3287 -2.4199 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2436 -2.2632 -1.1348 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8706 -1.8958 -0.5919 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0179 -1.2414 0.6265 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7348 1.0092 -0.2931 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6541 0.4310 -1.5723 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2975 0.4328 1.4529 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5915 1.4173 0.2691 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7284 -0.5426 -0.6553 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8655 -1.6490 0.4429 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7894 -0.4112 2.3763 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6025 0.7437 1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1359 -0.9631 2.1542 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0485 -2.2738 1.6444 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4618 -1.6138 -0.7662 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9446 -2.0544 0.0978 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8747 0.7801 -0.3334 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3654 0.3651 0.5921 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2407 -0.6686 -1.6125 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7466 -0.1122 -2.4060 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1087 2.1980 -1.7927 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4834 1.5261 -2.7353 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5980 2.6187 -0.0273 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5809 2.3219 1.4351 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6134 1.0278 1.8913 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2481 -0.0358 0.4450 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