N-{2-[2-(2,5-dioxoimidazolidin-1-yl)acetamido]-4-methylphenyl}pentanamide

• ChemBase ID: 364571
• Molecular Formular: C17H22N4O4
• Molecular Mass: 346.38098
• Monoisotopic Mass: 346.1641052
• SMILES: N1(C(=O)NCC1=O)CC(=O)Nc1c(NC(=O)CCCC)ccc(c1)C
• Canonical SMILES: CCCCC(=O)Nc1ccc(cc1NC(=O)CN1C(=O)NCC1=O)C
• InChI: InChI=1S/C17H22N4O4/c1-3-4-5-14(22)19-12-7-6-11(2)8-13(12)20-15(23)10-21-16(24)9-18-17(21)25/h6-8H,3-5,9-10H2,1-2H3,(H,18,25)(H,19,22)(H,20,23)
• InChIKey: HTOXKVCREWNCKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.55404
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 1.0265454
• LogD (pH = 7.4): 1.0265157
• Log P: 1.0265458
• Molar Refractivity: 94.0378 cm^3
• Polarizability: 34.66617 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: -0.23
• LOG S: -2.84
• Polar Surface Area: 107.61 Å^2
• Rotatable Bonds: 7