Free Chemical Databases
-
[Synonyms]
NSC222609
28122-53-4
[Structure]
[ Properties Computed from Structure]
Molecular Weight 235.32204 [g/mol] Molecular Formula C14H21NO2 XLogP 4 H-Bond Donor 2 H-Bond Acceptor 2 Rotatable Bond Count 7 Tautomer Count 13 Exact Mass 235.157229 MonoIsotopic Mass 235.157229 Topological Polar Surface Area 49.3 Heavy Atom Count 17 Formal Charge 0 Complexity 218 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: N-(3-hydroxyphenyl)octanamide
Canonical SMILES: CCCCCCCC(=O)NC1=CC(=CC=C1)O
InChI: InChI=1/C14H21NO2/c1-2-3-4-5-6-10-14(17)15-12-8-7-9-13(16)11-12/h7-9,11,
16H,2-6,10H2,1H3,(H,15,17)/f/h15H
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