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

• ChemBase ID: 831967
• Molecular Formular: C19H26N4O3
• Molecular Mass: 358.43474
• Monoisotopic Mass: 358.20049071
• SMILES: N1(C(=O)NC(C1=O)(Cc1c(C)cccc1)C1CCNCC1)CC(=O)NC
• Canonical SMILES: CNC(=O)CN1C(=O)NC(C1=O)(Cc1ccccc1C)C1CCNCC1
• InChI: InChI=1S/C19H26N4O3/c1-13-5-3-4-6-14(13)11-19(15-7-9-21-10-8-15)17(25)23(18(26)22-19)12-16(24)20-2/h3-6,15,21H,7-12H2,1-2H3,(H,20,24)(H,22,26)
• InChIKey: FJXMDILUBUULPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.579345
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -2.634117
• LogD (pH = 7.4): -1.9641485
• Log P: 0.42946357
• Molar Refractivity: 97.8395 cm^3
• Polarizability: 37.904858 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: 1.06
• LOG S: -2.72
• Polar Surface Area: 90.54 Å^2
• Rotatable Bonds: 5