Free Chemical Databases
-
[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 237.2964 [g/mol] Molecular Formula C16H15NO XLogP 3.6 H-Bond Donor 1 H-Bond Acceptor 1 Rotatable Bond Count 3 Tautomer Count 2 Exact Mass 237.115364 MonoIsotopic Mass 237.115364 Topological Polar Surface Area 29.1 Heavy Atom Count 18 Formal Charge 0 Complexity 296 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 1 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: N,3-di(phenyl)but-2-enamide
Canonical SMILES: CC(=CC(=O)NC1=CC=CC=C1)C2=CC=CC=C2
InChI: InChI=1/C16H15NO/c1-13(14-8-4-2-5-9-14)12-16(18)17-15-10-6-3-7-11-15/h2-
12H,1H3,(H,17,18)/f/h17H
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