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
8.2839 -0.5492 -0.9285 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5528 -1.4463 -0.0064 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6864 -0.8668 1.0279 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4905 -0.0709 0.6524 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6856 1.1541 -0.1362 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5531 2.0263 -0.4628 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4201 1.6473 -1.2889 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5687 0.5342 -0.8398 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9771 0.7183 0.5319 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1398 -0.5029 0.8336 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4985 -0.4132 2.2005 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4118 0.7786 2.3419 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5266 0.7349 1.3210 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3676 -0.4973 1.4863 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4653 -0.5334 0.4618 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3540 0.6479 0.6047 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4943 0.6509 -0.3994 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3394 -0.5663 -0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4320 -0.5477 -1.1825 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.3695 -1.6065 -1.2002 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2041 -2.5322 -0.3579 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.4829 -1.6536 -2.1342 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.7181 -0.7241 -3.0401 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4444 0.4462 -0.4706 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8515 -0.4893 -1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3299 -0.9600 -1.0930 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9913 -2.2458 -0.5842 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3346 -2.0630 0.5337 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3131 -1.7455 1.6565 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3008 -0.2964 1.7811 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7251 -0.7807 0.2064 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0037 0.2285 1.6343 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4355 1.7927 0.4355 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2909 0.9351 -1.0916 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1556 2.4788 0.5074 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0263 2.9611 -0.9563 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7461 1.5096 -2.3779 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7161 2.5510 -1.4113 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6281 0.6014 -1.5237 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9603 -0.4815 -0.9356 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7150 0.8747 1.3169 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2746 1.5930 0.5670 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3372 -0.6521 0.0944 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7460 -1.4337 0.8318 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3071 -0.3782 2.9776 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0854 -1.3226 2.4218 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8319 0.7161 3.3806 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1513 1.7309 2.2609 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1289 1.6738 1.4853 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1628 0.7882 0.2928 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7610 -1.4215 1.3547 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8581 -0.4861 2.4959 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9514 -0.5323 -0.5402 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9900 -1.5069 0.5577 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7626 1.5717 0.4008 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7852 0.6844 1.6067 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1345 1.5362 -0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1642 0.7991 -1.4322 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7722 -1.5061 -0.3854 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8041 -0.6056 0.7871 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5180 0.2306 -1.8444 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1487 -2.5321 -2.0514 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0679 0.1272 -3.1160 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5488 -0.7731 -3.7266 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