2-(2,5-dioxoimidazolidin-4-yl)-N-[2-(naphthalen-1-yl)propan-2-yl]acetamide

• ChemBase ID: 636293
• Molecular Formular: C18H19N3O3
• Molecular Mass: 325.36176
• Monoisotopic Mass: 325.14264148
• SMILES: N1C(=O)NC(C1=O)CC(=O)NC(c1c2c(ccc1)cccc2)(C)C
• Canonical SMILES: O=C(NC(c1cccc2c1cccc2)(C)C)CC1NC(=O)NC1=O
• InChI: InChI=1S/C18H19N3O3/c1-18(2,13-9-5-7-11-6-3-4-8-12(11)13)21-15(22)10-14-16(23)20-17(24)19-14/h3-9,14H,10H2,1-2H3,(H,21,22)(H2,19,20,23,24)
• InChIKey: DAGIGZRFCWMZRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dioxoimidazolidin-4-yl)-N-[2-(naphthalen-1-yl)propan-2-yl]acetamide
• IUPAC Traditional name: 2-(2,5-dioxoimidazolidin-4-yl)-N-[2-(naphthalen-1-yl)propan-2-yl]acetamide
• Synonyms: 2-(2,5-dioxoimidazolidin-4-yl)-N-[1-methyl-1-(1-naphthyl)ethyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.632477
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 1.3045353
• LogD (pH = 7.4): 1.3020605
• Log P: 1.3045669
• Molar Refractivity: 88.4141 cm^3
• Polarizability: 35.451756 Å^3
• Polar Surface Area: 87.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 1.13
• LOG S: -2.54
• Polar Surface Area: 87.3 Å^2
• Rotatable Bonds: 4