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10015-71-1 | Hexadecanamide, N-[2-(4-hydroxyphenyl)ethyl]-
CAS No: 10015-71-1 Catalog No: AG00014F MDL No:
Product Description
Catalog Number:
AG00014F
Chemical Name:
Hexadecanamide, N-[2-(4-hydroxyphenyl)ethyl]-
CAS Number:
10015-71-1
Molecular Formula:
C24H41NO2
Molecular Weight:
375.5878
IUPAC Name:
N-[2-(4-hydroxyphenyl)ethyl]hexadecanamide
InChI:
InChI=1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(27)25-21-20-22-16-18-23(26)19-17-22/h16-19,26H,2-15,20-21H2,1H3,(H,25,27)
InChI Key:
SPKNIDSCODQFHO-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC(=O)NCCc1ccc(cc1)O
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.314g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
375.597g/mol
Monoisotopic Mass:
375.314g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.5
Literature
| Title | Journal |
|---|---|
| Rational design of an indolebutanoic acid derivative as a novel aldose reductase inhibitor based on docking and 3D QSAR studies of phenethylamine derivatives. | Journal of medicinal chemistry 20031218 |
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