Free Chemical Databases
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[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 393.47878 [g/mol] Molecular Formula C23H27N3O3 XLogP 1.9 H-Bond Donor 1 H-Bond Acceptor 4 Rotatable Bond Count 5 Tautomer Count 2 Exact Mass 393.205242 MonoIsotopic Mass 393.205242 Topological Polar Surface Area 61.9 Heavy Atom Count 29 Formal Charge 0 Complexity 564 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: 5-(4-ethoxyphenyl)-1-phenyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one
Canonical SMILES: CCOC1=CC=C(C=C1)C2C(CC(=O)N2C3=CC=CC=C3)C(=O)N4CCNCC4
InChI: InChI=1/C23H27N3O3/c1-2-29-19-10-8-17(9-11-19)22-20(23(28)25-14-12-24-
13-15-25)16-21(27)26(22)18-6-4-3-5-7-18/h3-11,20,22,24H,2,12-16H2,1H3
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