N-benzyl-2-[1-cyclopentyl-3-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-hydroxyethyl)acetamide

• ChemBase ID: 335405
• Molecular Formular: C27H32N2O5
• Molecular Mass: 464.55338
• Monoisotopic Mass: 464.23112213
• SMILES: C1(C(=O)N(C(=O)C1)C1CCCC1)(CC(=O)N(Cc1ccccc1)CCO)c1cc(OC)ccc1
• Canonical SMILES: OCCN(C(=O)CC1(CC(=O)N(C1=O)C1CCCC1)c1cccc(c1)OC)Cc1ccccc1
• InChI: InChI=1S/C27H32N2O5/c1-34-23-13-7-10-21(16-23)27(18-25(32)29(26(27)33)22-11-5-6-12-22)17-24(31)28(14-15-30)19-20-8-3-2-4-9-20/h2-4,7-10,13,16,22,30H,5-6,11-12,14-15,17-19H2,1H3
• InChIKey: VVYSJFQFNTUMKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-2-[1-cyclopentyl-3-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-hydroxyethyl)acetamide
• IUPAC Traditional name: N-benzyl-2-[1-cyclopentyl-3-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-hydroxyethyl)acetamide
• Synonyms: N-benzyl-2-[1-cyclopentyl-3-(3-methoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]-N-(2-hydroxyethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.573139
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.4591472
• LogD (pH = 7.4): 2.4591472
• Log P: 2.4591472
• Molar Refractivity: 128.0119 cm^3
• Polarizability: 49.876938 Å^3
• Polar Surface Area: 87.15 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.26
• LOG S: -4.83
• Polar Surface Area: 87.15 Å^2
• Rotatable Bonds: 8