N-[3-(furan-2-yl)-3-phenylpropyl]-2-[1-(2-methoxyethyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide

• ChemBase ID: 730999
• Molecular Formular: C29H32N2O5
• Molecular Mass: 488.57478
• Monoisotopic Mass: 488.23112213
• SMILES: C1(C(=O)N(C(=O)C1)CCOC)(c1c(C)cccc1)CC(=O)NCCC(c1occc1)c1ccccc1
• Canonical SMILES: COCCN1C(=O)CC(C1=O)(CC(=O)NCCC(c1ccco1)c1ccccc1)c1ccccc1C
• InChI: InChI=1S/C29H32N2O5/c1-21-9-6-7-12-24(21)29(20-27(33)31(28(29)34)16-18-35-2)19-26(32)30-15-14-23(25-13-8-17-36-25)22-10-4-3-5-11-22/h3-13,17,23H,14-16,18-20H2,1-2H3,(H,30,32)
• InChIKey: CXQKWTCTFIPHIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(furan-2-yl)-3-phenylpropyl]-2-[1-(2-methoxyethyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
• IUPAC Traditional name: N-[3-(furan-2-yl)-3-phenylpropyl]-2-[1-(2-methoxyethyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
• Synonyms: N-[3-(2-furyl)-3-phenylpropyl]-2-[1-(2-methoxyethyl)-3-(2-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]acetamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• LOG S: -6.51
• Polar Surface Area: 88.85 Å^2
• Rotatable Bonds: 10
• H Acceptors: 5
• H Donor: 1
• Log P: 3.84

JChem

• Molar Refractivity: 136.4987 cm^3
• Polarizability: 52.695896 Å^3
• Polar Surface Area: 88.85 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true
• Acid pKa: 15.47179
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.331334
• LogD (pH = 7.4): 3.3313344
• Log P: 3.3313344