3-(furan-2-yl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide

• ChemBase ID: 671048
• Molecular Formular: C19H24N2O2
• Molecular Mass: 312.40606
• Monoisotopic Mass: 312.18377802
• SMILES: N1(CC(CN(C(=O)CCc2occc2)C)CC1)c1ccccc1
• Canonical SMILES: O=C(N(CC1CCN(C1)c1ccccc1)C)CCc1ccco1
• InChI: InChI=1S/C19H24N2O2/c1-20(19(22)10-9-18-8-5-13-23-18)14-16-11-12-21(15-16)17-6-3-2-4-7-17/h2-8,13,16H,9-12,14-15H2,1H3
• InChIKey: UQHJWBSORXVRAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(furan-2-yl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
• IUPAC Traditional name: 3-(furan-2-yl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
• Synonyms: 3-(2-furyl)-N-methyl-N-[(1-phenyl-3-pyrrolidinyl)methyl]propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4243085
• LogD (pH = 7.4): 2.5735493
• Log P: 2.5758266
• Molar Refractivity: 92.1949 cm^3
• Polarizability: 34.97873 Å^3
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.45
• LOG S: -3.57
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 6