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
-8.0827 2.0861 -1.7747 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8227 2.0044 -0.3076 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4944 0.6029 0.1557 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2571 0.0640 -0.5326 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0000 -1.3450 -0.0106 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7857 -1.9577 -0.6429 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5292 -1.1146 -0.3485 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2780 -1.0111 1.0978 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1688 -0.1512 1.5310 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7690 -0.3652 1.1344 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3616 -0.2277 -0.2754 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1446 -0.5091 -0.4008 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9048 0.4664 0.4171 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4470 0.2651 0.2825 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8086 -1.0714 0.7374 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1979 -1.5383 0.7332 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9572 -1.6224 -0.5012 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4214 -0.5178 -1.3367 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4349 0.3164 -0.7848 N 0 0 0 0 0 0 0 0 0 0 0 0
7.4574 1.1646 0.3291 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4028 1.2517 1.0007 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6114 1.9420 0.7529 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7591 1.9407 0.1467 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4688 1.1193 -2.1588 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8775 2.8394 -1.9527 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2006 2.4406 -2.3564 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7411 2.3244 0.2313 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0382 2.7289 -0.0336 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3168 0.6410 1.2497 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3733 -0.0512 -0.0128 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3279 0.0950 -1.6189 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3919 0.6847 -0.2240 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8744 -1.9502 -0.3652 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0220 -1.3807 1.0782 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6414 -2.9597 -0.2424 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9204 -1.9488 -1.7355 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7282 -1.7675 -0.8243 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5408 -0.1750 -0.8672 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1760 -2.0275 1.5902 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2159 -0.5715 1.5692 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1461 -0.0947 2.6868 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3872 0.9512 1.2832 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1862 0.4489 1.7053 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3257 -1.3012 1.5920 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4505 0.8654 -0.5457 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8399 -0.8626 -1.0107 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3910 -0.4473 -1.4762 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2717 -1.5719 -0.0957 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6877 1.4982 0.1276 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7203 0.3745 1.5189 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8323 1.0540 0.9652 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6220 0.4258 -0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4333 -1.2304 1.8165 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2027 -1.8728 0.1898 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0917 -2.6654 1.1058 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7743 -1.1450 1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3905 -2.3812 -1.2071 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8630 -2.3344 -0.2686 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5887 0.1262 -1.7335 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8759 -0.9543 -2.3015 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3934 0.3152 -1.3108 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5189 2.5682 1.6323 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6081 2.5295 0.4806 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9272 1.3482 -0.7276 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