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

• ChemBase ID: 364322
• Molecular Formular: C24H30N2O4
• Molecular Mass: 410.506
• Monoisotopic Mass: 410.22055745
• SMILES: C1(C(=O)N(C(=O)C1)C1CCCC1)(CC(=O)N(CC=C)CC=C)c1c(OC)cccc1
• Canonical SMILES: C=CCN(C(=O)CC1(CC(=O)N(C1=O)C1CCCC1)c1ccccc1OC)CC=C
• InChI: InChI=1S/C24H30N2O4/c1-4-14-25(15-5-2)21(27)16-24(19-12-8-9-13-20(19)30-3)17-22(28)26(23(24)29)18-10-6-7-11-18/h4-5,8-9,12-13,18H,1-2,6-7,10-11,14-17H2,3H3
• InChIKey: XLFVAKRQYTULQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.493368
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.8872755
• LogD (pH = 7.4): 2.8872757
• Log P: 2.8872757
• Molar Refractivity: 115.4324 cm^3
• Polarizability: 44.701233 Å^3
• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.34
• LOG S: -4.59
• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 8