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

• ChemBase ID: 750044
• Molecular Formular: C22H25N3O3
• Molecular Mass: 379.4522
• Monoisotopic Mass: 379.18959168
• SMILES: N1(C(=O)Nc2cc(c(N3C(=O)CCC3)cc2)C)C(CC1)c1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)C1CCN1C(=O)Nc1ccc(c(c1)C)N1CCCC1=O
• InChI: InChI=1S/C22H25N3O3/c1-15-13-17(8-9-19(15)24-11-4-7-21(24)26)23-22(27)25-12-10-20(25)16-5-3-6-18(14-16)28-2/h3,5-6,8-9,13-14,20H,4,7,10-12H2,1-2H3,(H,23,27)
• InChIKey: LWVWUMLZIVWZIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.503068
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.6819673
• LogD (pH = 7.4): 2.681967
• Log P: 2.6819673
• Molar Refractivity: 108.9489 cm^3
• Polarizability: 41.004692 Å^3
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.02
• LOG S: -3.69
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 4