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
-9.7370 -0.0135 1.7443 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6465 -0.7871 1.0159 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6144 0.2188 0.5771 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4672 -0.4298 -0.1654 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5047 0.6917 -0.5482 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3109 0.1173 -1.3063 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4150 1.2819 -1.6452 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1825 0.8845 -2.4012 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3800 -0.0910 -1.5885 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9737 0.5319 -0.2955 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1490 -0.3890 0.5673 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1237 -0.8305 -0.1137 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9496 0.3800 -0.4272 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2508 0.1079 -1.1042 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1050 -0.7749 -0.2086 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4352 -1.0750 -0.8362 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2428 -1.9592 0.0634 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5001 -1.3117 1.3963 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2146 -0.0573 1.1645 N 0 0 0 0 0 0 0 0 0 0 0 0
8.4833 0.0174 0.5456 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0332 -1.0639 0.1736 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1196 1.2994 0.3510 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5608 2.4091 0.7300 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.2312 0.5825 2.5330 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1675 0.7310 1.0325 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5345 -0.6633 2.1198 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2422 -1.5670 1.6848 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1339 -1.2896 0.1644 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2207 0.7233 1.4836 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0964 0.9572 -0.0654 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9080 -1.1407 0.4521 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8422 -0.8735 -1.1109 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9910 1.4296 -1.2155 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1171 1.1907 0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8556 -0.6206 -0.6404 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5986 -0.3712 -2.2402 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0073 1.9264 -2.3608 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1171 1.8909 -0.7750 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4071 0.5032 -3.4209 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5476 1.7987 -2.5105 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0256 -0.9933 -1.4493 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5037 -0.3968 -2.1997 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4507 1.4869 -0.4251 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8790 0.7739 0.3146 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7531 -1.2544 0.9244 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1734 0.2227 1.4555 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6275 -1.5420 0.5814 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9008 -1.4324 -1.0259 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1486 0.9010 0.5394 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3616 1.0263 -1.1291 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0316 -0.4142 -2.0778 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7394 1.0866 -1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2764 -0.1718 0.7218 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5351 -1.7030 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9311 -0.0884 -1.0141 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3320 -1.5484 -1.8387 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6350 -2.9017 0.2196 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1842 -2.2758 -0.4307 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5370 -1.1505 1.9056 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1049 -1.9791 2.0628 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6942 0.7940 1.5033 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0868 1.3222 -0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0958 3.3483 0.5534 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5968 2.5253 1.2163 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