3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(2-methoxyphenyl)methyl]propanamide

• ChemBase ID: 610864
• Molecular Formular: C20H24N2O4
• Molecular Mass: 356.41556
• Monoisotopic Mass: 356.17360726
• SMILES: N1C(Cc2occc2)(CCC(=O)NCc2c(OC)cccc2)CCC1=O
• Canonical SMILES: COc1ccccc1CNC(=O)CCC1(CCC(=O)N1)Cc1ccco1
• InChI: InChI=1S/C20H24N2O4/c1-25-17-7-3-2-5-15(17)14-21-18(23)8-10-20(11-9-19(24)22-20)13-16-6-4-12-26-16/h2-7,12H,8-11,13-14H2,1H3,(H,21,23)(H,22,24)
• InChIKey: MRRDJJFYNLAPOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(2-methoxyphenyl)methyl]propanamide
• IUPAC Traditional name: 3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(2-methoxyphenyl)methyl]propanamide
• Synonyms: 3-[2-(2-furylmethyl)-5-oxo-2-pyrrolidinyl]-N-(2-methoxybenzyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.63198
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.2357984
• LogD (pH = 7.4): 1.2357984
• Log P: 1.2357986
• Molar Refractivity: 97.0203 cm^3
• Polarizability: 37.579292 Å^3
• Polar Surface Area: 80.57 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.71
• LOG S: -1.95
• Polar Surface Area: 80.57 Å^2
• Rotatable Bonds: 7