Free Chemical Databases
-
[Synonyms]
NSC128102
[Structure]
[ Properties Computed from Structure]
Molecular Weight 285.42378 [g/mol] Molecular Formula C19H27NO XLogP 5.2 H-Bond Donor 1 H-Bond Acceptor 1 Rotatable Bond Count 6 Tautomer Count 2 Exact Mass 285.209264 MonoIsotopic Mass 285.209264 Topological Polar Surface Area 29.1 Heavy Atom Count 21 Formal Charge 0 Complexity 368 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 1 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: N-[2-(1-cyclohexenyl)-2-phenylpentyl]acetamide
Canonical SMILES: CCCC(CNC(=O)C)(C1=CCCCC1)C2=CC=CC=C2
InChI: InChI=1/C19H27NO/c1-3-14-19(15-20-16(2)21,
17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4,6-7,10-12H,3,5,8-9,13-15H2,1-2H3,
(H,20,21)/f/h20H
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