1-(furan-2-ylmethyl)-N-[2-(4-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide

• ChemBase ID: 383682
• Molecular Formular: C23H24N2O3
• Molecular Mass: 376.44826
• Monoisotopic Mass: 376.17869264
• SMILES: N1(C(C(=O)Nc2c(c3ccc(cc3)OC)cccc2)CCC1)Cc1occc1
• Canonical SMILES: COc1ccc(cc1)c1ccccc1NC(=O)C1CCCN1Cc1ccco1
• InChI: InChI=1S/C23H24N2O3/c1-27-18-12-10-17(11-13-18)20-7-2-3-8-21(20)24-23(26)22-9-4-14-25(22)16-19-6-5-15-28-19/h2-3,5-8,10-13,15,22H,4,9,14,16H2,1H3,(H,24,26)
• InChIKey: MPKPDTJMTWRHFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(furan-2-ylmethyl)-N-[2-(4-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide
• IUPAC Traditional name: 1-(furan-2-ylmethyl)-N-[2-(4-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide
• Synonyms: 1-(2-furylmethyl)-N-(4'-methoxy-2-biphenylyl)prolinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.79714
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.180635
• LogD (pH = 7.4): 3.7334569
• Log P: 3.9944823
• Molar Refractivity: 110.2392 cm^3
• Polarizability: 43.308372 Å^3
• Polar Surface Area: 54.71 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.55
• LOG S: -3.62
• Polar Surface Area: 54.71 Å^2
• Rotatable Bonds: 5