4-(2,4-dioxoimidazolidin-1-yl)-N-(1-phenylbutyl)benzamide

• ChemBase ID: 320959
• Molecular Formular: C20H21N3O3
• Molecular Mass: 351.39904
• Monoisotopic Mass: 351.15829155
• SMILES: C1(=O)NC(=O)CN1c1ccc(C(=O)NC(c2ccccc2)CCC)cc1
• Canonical SMILES: CCCC(c1ccccc1)NC(=O)c1ccc(cc1)N1CC(=O)NC1=O
• InChI: InChI=1S/C20H21N3O3/c1-2-6-17(14-7-4-3-5-8-14)21-19(25)15-9-11-16(12-10-15)23-13-18(24)22-20(23)26/h3-5,7-12,17H,2,6,13H2,1H3,(H,21,25)(H,22,24,26)
• InChIKey: XUTMBSQOLAAFEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,4-dioxoimidazolidin-1-yl)-N-(1-phenylbutyl)benzamide
• IUPAC Traditional name: 4-(2,4-dioxoimidazolidin-1-yl)-N-(1-phenylbutyl)benzamide
• Synonyms: 4-(2,4-dioxo-1-imidazolidinyl)-N-(1-phenylbutyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.064495
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.6137524
• LogD (pH = 7.4): 2.6046736
• Log P: 2.6138697
• Molar Refractivity: 97.8519 cm^3
• Polarizability: 37.322037 Å^3
• Polar Surface Area: 78.51 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.89
• LOG S: -4.43
• Polar Surface Area: 78.51 Å^2
• Rotatable Bonds: 4