2-[4-methyl-2,5-dioxo-4-(piperidin-4-yl)imidazolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide

• ChemBase ID: 775763
• Molecular Formular: C19H26N4O3
• Molecular Mass: 358.43474
• Monoisotopic Mass: 358.20049071
• SMILES: N1(C(=O)NC(C1=O)(C1CCNCC1)C)CC(=O)NCc1c(C)cccc1
• Canonical SMILES: O=C(CN1C(=O)NC(C1=O)(C)C1CCNCC1)NCc1ccccc1C
• InChI: InChI=1S/C19H26N4O3/c1-13-5-3-4-6-14(13)11-21-16(24)12-23-17(25)19(2,22-18(23)26)15-7-9-20-10-8-15/h3-6,15,20H,7-12H2,1-2H3,(H,21,24)(H,22,26)
• InChIKey: KNIDISGBKGLAJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-methyl-2,5-dioxo-4-(piperidin-4-yl)imidazolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
• IUPAC Traditional name: 2-[4-methyl-2,5-dioxo-4-(piperidin-4-yl)imidazolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
• Synonyms: N-(2-methylbenzyl)-2-(4-methyl-2,5-dioxo-4-piperidin-4-ylimidazolidin-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.657812
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -2.565973
• LogD (pH = 7.4): -1.8960435
• Log P: 0.5148513
• Molar Refractivity: 97.8331 cm^3
• Polarizability: 37.903114 Å^3
• Polar Surface Area: 90.54 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 1.25
• LOG S: -2.88
• Polar Surface Area: 90.54 Å^2
• Rotatable Bonds: 5