2-ethyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide

• ChemBase ID: 363794
• Molecular Formular: C22H26N2O2
• Molecular Mass: 350.45404
• Monoisotopic Mass: 350.19942808
• SMILES: C1(=O)N(CC(C1)NC(=O)c1c(CC)cccc1)CCCc1ccccc1
• Canonical SMILES: CCc1ccccc1C(=O)NC1CC(=O)N(C1)CCCc1ccccc1
• InChI: InChI=1S/C22H26N2O2/c1-2-18-12-6-7-13-20(18)22(26)23-19-15-21(25)24(16-19)14-8-11-17-9-4-3-5-10-17/h3-7,9-10,12-13,19H,2,8,11,14-16H2,1H3,(H,23,26)
• InChIKey: CNKNOOFJGYIQHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide
• IUPAC Traditional name: 2-ethyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide
• Synonyms: 2-ethyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.358457
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.7069027
• LogD (pH = 7.4): 3.706903
• Log P: 3.706903
• Molar Refractivity: 103.7447 cm^3
• Polarizability: 39.73434 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.7
• LOG S: -4.92
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 7