4-(2,4-dioxoimidazolidin-1-yl)-N-(3-methyl-4-pentanamidophenyl)benzamide

• ChemBase ID: 613167
• Molecular Formular: C22H24N4O4
• Molecular Mass: 408.45036
• Monoisotopic Mass: 408.17975527
• SMILES: C1(=O)NC(=O)CN1c1ccc(C(=O)Nc2cc(c(NC(=O)CCCC)cc2)C)cc1
• Canonical SMILES: CCCCC(=O)Nc1ccc(cc1C)NC(=O)c1ccc(cc1)N1CC(=O)NC1=O
• InChI: InChI=1S/C22H24N4O4/c1-3-4-5-19(27)24-18-11-8-16(12-14(18)2)23-21(29)15-6-9-17(10-7-15)26-13-20(28)25-22(26)30/h6-12H,3-5,13H2,1-2H3,(H,23,29)(H,24,27)(H,25,28,30)
• InChIKey: XUVZZKVQYLSIOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,4-dioxoimidazolidin-1-yl)-N-(3-methyl-4-pentanamidophenyl)benzamide
• IUPAC Traditional name: 4-(2,4-dioxoimidazolidin-1-yl)-N-(3-methyl-4-pentanamidophenyl)benzamide
• Synonyms: 4-(2,4-dioxoimidazolidin-1-yl)-N-[3-methyl-4-(pentanoylamino)phenyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.064475
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 2.8639867
• LogD (pH = 7.4): 2.8549075
• Log P: 2.8641038
• Molar Refractivity: 114.987 cm^3
• Polarizability: 42.33162 Å^3
• Polar Surface Area: 107.61 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 1.8
• LOG S: -3.71
• Polar Surface Area: 107.61 Å^2
• Rotatable Bonds: 7