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
-7.3023 -2.9099 -1.3763 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4880 -1.7736 -0.7483 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7730 -1.7712 0.7315 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0231 -0.6944 1.4739 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3884 0.6556 0.9628 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6656 1.7745 1.6788 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1811 1.6808 1.5528 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7343 1.7369 0.1163 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2243 1.6428 -0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6781 0.3806 0.5536 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1789 0.3498 0.4239 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1904 0.4375 -1.0276 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7000 0.3718 -1.2503 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3296 1.5206 -0.5307 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8199 1.5102 -0.7566 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4019 0.2383 -0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9167 0.1919 -0.4273 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3737 -1.1185 0.1304 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8117 -1.3280 0.0251 N 0 0 0 0 0 0 0 0 0 0 0 0
8.7216 -0.4498 0.6557 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2129 0.5144 1.3091 O 0 0 0 0 0 0 0 0 0 0 0 0
10.1466 -0.6302 0.5678 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6817 -1.6160 -0.0998 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0898 -2.4577 -1.9962 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6620 -3.5274 -2.0409 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7197 -3.5560 -0.5895 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4319 -2.0042 -0.9183 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7747 -0.8029 -1.2072 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8585 -1.7666 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3747 -2.7504 1.1265 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3539 -0.7563 2.5361 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9431 -0.9307 1.3738 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4873 0.7706 1.0523 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1525 0.7870 -0.1245 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9362 1.6757 2.7597 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0586 2.7632 1.3665 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7107 2.5408 2.0719 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8355 0.7743 2.0892 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1595 0.9612 -0.5212 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0468 2.7219 -0.2827 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7618 2.5420 0.4023 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0311 1.6389 -1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9381 0.2161 1.6196 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0661 -0.5318 0.0228 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2406 -0.5544 0.9127 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2560 1.2333 0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2927 -0.3293 -1.6352 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0834 1.4688 -1.3799 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8521 0.4071 -2.3441 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0490 -0.6191 -0.8748 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8678 2.4920 -0.7818 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2084 1.3071 0.5729 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0162 1.6634 -1.8450 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3029 2.3708 -0.2492 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0282 -0.6506 -0.7994 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1154 0.1150 0.8127 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3940 1.0841 -0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0742 0.2357 -1.5238 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8303 -1.9280 -0.3652 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1439 -1.2111 1.2232 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1173 -2.1518 -0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7806 0.1076 1.0941 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0726 -2.3293 -0.6086 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7498 -1.7326 -0.1529 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