N-(2-ethoxyphenyl)-3-oxo-3-[2-(2-phenylethyl)pyrrolidin-1-yl]propanamide

• ChemBase ID: 617796
• Molecular Formular: C23H28N2O3
• Molecular Mass: 380.48002
• Monoisotopic Mass: 380.20999277
• SMILES: C(=O)(N1C(CCc2ccccc2)CCC1)CC(=O)Nc1c(OCC)cccc1
• Canonical SMILES: CCOc1ccccc1NC(=O)CC(=O)N1CCCC1CCc1ccccc1
• InChI: InChI=1S/C23H28N2O3/c1-2-28-21-13-7-6-12-20(21)24-22(26)17-23(27)25-16-8-11-19(25)15-14-18-9-4-3-5-10-18/h3-7,9-10,12-13,19H,2,8,11,14-17H2,1H3,(H,24,26)
• InChIKey: UDMYCXWDSXGMKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-ethoxyphenyl)-3-oxo-3-[2-(2-phenylethyl)pyrrolidin-1-yl]propanamide
• IUPAC Traditional name: N-(2-ethoxyphenyl)-3-oxo-3-[2-(2-phenylethyl)pyrrolidin-1-yl]propanamide
• Synonyms: N-(2-ethoxyphenyl)-3-oxo-3-[2-(2-phenylethyl)pyrrolidin-1-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.158779
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.8659983
• LogD (pH = 7.4): 3.865991
• Log P: 3.8659983
• Molar Refractivity: 111.2723 cm^3
• Polarizability: 42.532784 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.48
• LOG S: -4.94
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 8