N-(4-{[4-(4-benzyl-2,5-dioxoimidazolidin-4-yl)piperidin-1-yl]methyl}phenyl)acetamide

• ChemBase ID: 474835
• Molecular Formular: C24H28N4O3
• Molecular Mass: 420.50412
• Monoisotopic Mass: 420.21614078
• SMILES: N1C(=O)C(NC1=O)(C1CCN(Cc2ccc(NC(=O)C)cc2)CC1)Cc1ccccc1
• Canonical SMILES: O=C1NC(=O)C(N1)(Cc1ccccc1)C1CCN(CC1)Cc1ccc(cc1)NC(=O)C
• InChI: InChI=1S/C24H28N4O3/c1-17(29)25-21-9-7-19(8-10-21)16-28-13-11-20(12-14-28)24(22(30)26-23(31)27-24)15-18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3,(H,25,29)(H2,26,27,30,31)
• InChIKey: PBDXAKVLKYBUJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.197307
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.6061386
• LogD (pH = 7.4): 1.1367065
• Log P: 2.1386063
• Molar Refractivity: 119.8684 cm^3
• Polarizability: 45.70097 Å^3
• Polar Surface Area: 90.54 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 1.63
• LOG S: -3.92
• Polar Surface Area: 90.54 Å^2
• Rotatable Bonds: 6