2-(ethoxymethyl)-N-(3-phenylphenyl)pyrrolidine-1-carboxamide

• ChemBase ID: 760441
• Molecular Formular: C20H24N2O2
• Molecular Mass: 324.41676
• Monoisotopic Mass: 324.18377802
• SMILES: C(=O)(N1C(COCC)CCC1)Nc1cc(c2ccccc2)ccc1
• Canonical SMILES: CCOCC1CCCN1C(=O)Nc1cccc(c1)c1ccccc1
• InChI: InChI=1S/C20H24N2O2/c1-2-24-15-19-12-7-13-22(19)20(23)21-18-11-6-10-17(14-18)16-8-4-3-5-9-16/h3-6,8-11,14,19H,2,7,12-13,15H2,1H3,(H,21,23)
• InChIKey: LAORTXHWEWNHFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(ethoxymethyl)-N-(3-phenylphenyl)pyrrolidine-1-carboxamide
• IUPAC Traditional name: 2-(ethoxymethyl)-N-(3-phenylphenyl)pyrrolidine-1-carboxamide
• Synonyms: N-biphenyl-3-yl-2-(ethoxymethyl)pyrrolidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.244368
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.747385
• LogD (pH = 7.4): 3.7473845
• Log P: 3.747385
• Molar Refractivity: 97.5306 cm^3
• Polarizability: 38.33315 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.23
• LOG S: -4.32
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5