2-[1-cyclopentyl-3-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-N-(2-methylprop-2-en-1-yl)acetamide

• ChemBase ID: 421707
• Molecular Formular: C24H32N2O4
• Molecular Mass: 412.52188
• Monoisotopic Mass: 412.23620751
• SMILES: C1(C(=O)N(C(=O)C1)C1CCCC1)(CC(=O)N(CC(=C)C)CC)c1cc(OC)ccc1
• Canonical SMILES: CCN(C(=O)CC1(CC(=O)N(C1=O)C1CCCC1)c1cccc(c1)OC)CC(=C)C
• InChI: InChI=1S/C24H32N2O4/c1-5-25(16-17(2)3)21(27)14-24(18-9-8-12-20(13-18)30-4)15-22(28)26(23(24)29)19-10-6-7-11-19/h8-9,12-13,19H,2,5-7,10-11,14-16H2,1,3-4H3
• InChIKey: QSYZIFNMUBKMLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[1-cyclopentyl-3-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-N-(2-methylprop-2-en-1-yl)acetamide
• IUPAC Traditional name: 2-[1-cyclopentyl-3-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-N-(2-methylprop-2-en-1-yl)acetamide
• Synonyms: 2-[1-cyclopentyl-3-(3-methoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]-N-ethyl-N-(2-methyl-2-propen-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.575104
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.7561948
• LogD (pH = 7.4): 2.756195
• Log P: 2.756195
• Molar Refractivity: 115.3003 cm^3
• Polarizability: 44.943897 Å^3
• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.5
• LOG S: -4.24
• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 6