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
-8.5766 1.0460 1.6425 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2520 0.8303 0.8846 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5874 0.1366 -0.3739 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5610 -0.1808 -1.3625 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4376 -1.0907 -1.0976 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4648 -0.7810 -0.0335 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3574 -1.8242 0.0149 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5530 -1.9607 -1.2137 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8448 -0.7079 -1.6458 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8759 -0.1832 -0.6242 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2115 -1.1735 -0.2966 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1602 -0.6015 0.7322 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8431 0.6535 0.2873 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7549 1.1043 1.4054 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4972 2.3644 1.0653 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3718 2.2319 -0.1555 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4168 1.1347 0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2471 1.0621 -1.1852 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2872 0.0703 -1.1537 N 0 0 0 0 0 0 0 0 0 0 0 0
8.3131 0.1298 -0.1861 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3318 1.0768 0.6822 O 0 0 0 0 0 0 0 0 0 0 0 0
9.3544 -0.8718 -0.1594 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3990 -1.8537 -1.0035 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9797 2.0129 1.3193 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2972 0.2636 1.3824 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3985 1.1029 2.7246 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6547 0.2385 1.5874 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8153 1.8299 0.7135 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1593 -0.8113 -0.1243 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3598 0.7937 -0.9167 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1879 0.7800 -1.8704 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1256 -0.6537 -2.2541 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8675 -2.1357 -0.9054 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8219 -1.2539 -2.0493 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0027 -0.9746 0.9518 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1120 0.2454 0.0125 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7758 -1.6708 0.9413 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8963 -2.8046 0.1718 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8223 -2.7954 -1.0327 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1707 -2.3188 -2.0525 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5772 0.0534 -1.9077 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2812 -0.9524 -2.5789 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4011 0.1298 0.2761 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3834 0.7056 -1.0872 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7458 -1.5430 -1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2810 -2.0503 0.1891 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5647 -0.3725 1.6586 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9324 -1.3469 0.9896 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1427 1.4680 0.0218 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4420 0.4232 -0.6170 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4205 0.2897 1.6829 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1107 1.3327 2.2784 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8329 3.2287 1.0251 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1999 2.5539 1.9267 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9510 3.1754 -0.2469 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8251 2.0150 -1.0723 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8823 0.1794 0.2679 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0549 1.3713 0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7356 2.0419 -1.3566 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5597 0.9146 -2.0515 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2593 -0.6878 -1.8625 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1365 -0.7959 0.6057 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6873 -2.0135 -1.7818 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2100 -2.5798 -0.9346 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