2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}acetamide

• ChemBase ID: 678480
• Molecular Formular: C19H24N4O4
• Molecular Mass: 372.41826
• Monoisotopic Mass: 372.17975527
• SMILES: N1(C(=O)NC(C1=O)CC(=O)NCc1ccc(N2C(=O)CCC2)cc1)CCC
• Canonical SMILES: CCCN1C(=O)NC(C1=O)CC(=O)NCc1ccc(cc1)N1CCCC1=O
• InChI: InChI=1S/C19H24N4O4/c1-2-9-23-18(26)15(21-19(23)27)11-16(24)20-12-13-5-7-14(8-6-13)22-10-3-4-17(22)25/h5-8,15H,2-4,9-12H2,1H3,(H,20,24)(H,21,27)
• InChIKey: FAAGRJZMHVODOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}acetamide
• IUPAC Traditional name: 2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}acetamide
• Synonyms: 2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[4-(2-oxopyrrolidin-1-yl)benzyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.51837
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.049723834
• LogD (pH = 7.4): 0.049691558
• Log P: 0.04972425
• Molar Refractivity: 97.9504 cm^3
• Polarizability: 37.693485 Å^3
• Polar Surface Area: 98.82 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.32
• LOG S: -2.95
• Polar Surface Area: 98.82 Å^2
• Rotatable Bonds: 7