2-[1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]-N-[(1S)-1-phenylethyl]acetamide

• ChemBase ID: 645013
• Molecular Formular: C24H28N2O4
• Molecular Mass: 408.49012
• Monoisotopic Mass: 408.20490739
• SMILES: C1(C(=O)N(C(=O)C1)CCCOC)(CC(=O)N[C@H](c1ccccc1)C)c1ccccc1
• Canonical SMILES: COCCCN1C(=O)CC(C1=O)(CC(=O)N[C@H](c1ccccc1)C)c1ccccc1
• InChI: InChI=1S/C24H28N2O4/c1-18(19-10-5-3-6-11-19)25-21(27)16-24(20-12-7-4-8-13-20)17-22(28)26(23(24)29)14-9-15-30-2/h3-8,10-13,18H,9,14-17H2,1-2H3,(H,25,27)/t18-,24?/m0/s1
• InChIKey: MBNJNYHSVRDZNB-VEXWJQHLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]-N-[(1S)-1-phenylethyl]acetamide
• IUPAC Traditional name: 2-[1-(3-methoxypropyl)-2,5-dioxo-3-phenylpyrrolidin-3-yl]-N-[(1S)-1-phenylethyl]acetamide
• Synonyms: 2-[1-(3-methoxypropyl)-2,5-dioxo-3-phenyl-3-pyrrolidinyl]-N-[(1S*)-1-phenylethyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.3464775
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.1581018
• LogD (pH = 7.4): 2.1581018
• Log P: 2.1581018
• Molar Refractivity: 114.2742 cm^3
• Polarizability: 44.469982 Å^3
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.69
• LOG S: -5.64
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 8