N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylmorpholine-4-carboxamide

• ChemBase ID: 346244
• Molecular Formular: C22H25N3O3
• Molecular Mass: 379.4522
• Monoisotopic Mass: 379.18959168
• SMILES: N1(c2c(cc(NC(=O)N3CC(OCC3)c3ccccc3)cc2)C)C(=O)CCC1
• Canonical SMILES: O=C(N1CCOC(C1)c1ccccc1)Nc1ccc(c(c1)C)N1CCCC1=O
• InChI: InChI=1S/C22H25N3O3/c1-16-14-18(9-10-19(16)25-11-5-8-21(25)26)23-22(27)24-12-13-28-20(15-24)17-6-3-2-4-7-17/h2-4,6-7,9-10,14,20H,5,8,11-13,15H2,1H3,(H,23,27)
• InChIKey: OURNJOKHFWQEGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylmorpholine-4-carboxamide
• IUPAC Traditional name: N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylmorpholine-4-carboxamide
• Synonyms: N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylmorpholine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.528597
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.7327032
• LogD (pH = 7.4): 2.732703
• Log P: 2.7327032
• Molar Refractivity: 108.6638 cm^3
• Polarizability: 41.019695 Å^3
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.09
• LOG S: -3.75
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 3