4-(2,4-dioxoimidazolidin-1-yl)-N-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]benzamide

• ChemBase ID: 417800
• Molecular Formular: C17H20N4O5
• Molecular Mass: 360.3645
• Monoisotopic Mass: 360.14336976
• SMILES: C1(=O)NC(=O)CN1c1ccc(C(=O)NC2CC(=O)N(C2)CCOC)cc1
• Canonical SMILES: COCCN1CC(CC1=O)NC(=O)c1ccc(cc1)N1CC(=O)NC1=O
• InChI: InChI=1S/C17H20N4O5/c1-26-7-6-20-9-12(8-15(20)23)18-16(24)11-2-4-13(5-3-11)21-10-14(22)19-17(21)25/h2-5,12H,6-10H2,1H3,(H,18,24)(H,19,22,25)
• InChIKey: NZWLTYOFAXPLNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,4-dioxoimidazolidin-1-yl)-N-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]benzamide
• IUPAC Traditional name: 4-(2,4-dioxoimidazolidin-1-yl)-N-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]benzamide
• Synonyms: 4-(2,4-dioxo-1-imidazolidinyl)-N-[1-(2-methoxyethyl)-5-oxo-3-pyrrolidinyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.064496
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.2977146
• LogD (pH = 7.4): -1.3067933
• Log P: -1.2975974
• Molar Refractivity: 90.8398 cm^3
• Polarizability: 34.569164 Å^3
• Polar Surface Area: 108.05 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -1.52
• LOG S: -1.84
• Polar Surface Area: 108.05 Å^2
• Rotatable Bonds: 6