N-[(5-methylfuran-2-yl)methyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide

• ChemBase ID: 434489
• Molecular Formular: C24H26N2O3
• Molecular Mass: 390.47484
• Monoisotopic Mass: 390.1943427
• SMILES: N1C(Cc2cc3c(cc2)cccc3)(CCC(=O)NCc2oc(cc2)C)CCC1=O
• Canonical SMILES: O=C(NCc1ccc(o1)C)CCC1(CCC(=O)N1)Cc1ccc2c(c1)cccc2
• InChI: InChI=1S/C24H26N2O3/c1-17-6-9-21(29-17)16-25-22(27)10-12-24(13-11-23(28)26-24)15-18-7-8-19-4-2-3-5-20(19)14-18/h2-9,14H,10-13,15-16H2,1H3,(H,25,27)(H,26,28)
• InChIKey: WECZUMUFCMLPHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-methylfuran-2-yl)methyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
• IUPAC Traditional name: N-[(5-methylfuran-2-yl)methyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
• Synonyms: N-[(5-methyl-2-furyl)methyl]-3-[2-(2-naphthylmethyl)-5-oxo-2-pyrrolidinyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.756318
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.8112092
• LogD (pH = 7.4): 2.8112092
• Log P: 2.8112094
• Molar Refractivity: 112.0466 cm^3
• Polarizability: 44.31798 Å^3
• Polar Surface Area: 71.34 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.46
• LOG S: -3.75
• Polar Surface Area: 71.34 Å^2
• Rotatable Bonds: 7