2-[2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamido]-N-[(3-methylphenyl)methyl]benzamide

• ChemBase ID: 638335
• Molecular Formular: C22H24N4O4
• Molecular Mass: 408.45036
• Monoisotopic Mass: 408.17975527
• SMILES: N1(C(=O)N(C(C1=O)CC(=O)Nc1c(C(=O)NCc2cc(ccc2)C)cccc1)C)C
• Canonical SMILES: Cc1cccc(c1)CNC(=O)c1ccccc1NC(=O)CC1N(C)C(=O)N(C1=O)C
• InChI: InChI=1S/C22H24N4O4/c1-14-7-6-8-15(11-14)13-23-20(28)16-9-4-5-10-17(16)24-19(27)12-18-21(29)26(3)22(30)25(18)2/h4-11,18H,12-13H2,1-3H3,(H,23,28)(H,24,27)
• InChIKey: CZXIUOLVXFOZTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamido]-N-[(3-methylphenyl)methyl]benzamide
• IUPAC Traditional name: 2-[2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetamido]-N-[(3-methylphenyl)methyl]benzamide
• Synonyms: 2-{[(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)acetyl]amino}-N-(3-methylbenzyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.542619
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.3205967
• LogD (pH = 7.4): 2.3205938
• Log P: 2.3205967
• Molar Refractivity: 113.275 cm^3
• Polarizability: 42.16861 Å^3
• Polar Surface Area: 98.82 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.34
• LOG S: -4.18
• Polar Surface Area: 98.82 Å^2
• Rotatable Bonds: 6