2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-phenylacetamide

• ChemBase ID: 258015
• Molecular Formular: C12H13N3O3
• Molecular Mass: 247.24992
• Monoisotopic Mass: 247.09569129
• SMILES: N1(C(=O)N(CC1=O)C)CC(=O)Nc1ccccc1
• Canonical SMILES: O=C(CN1C(=O)CN(C1=O)C)Nc1ccccc1
• InChI: InChI=1S/C12H13N3O3/c1-14-8-11(17)15(12(14)18)7-10(16)13-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,13,16)
• InChIKey: LGXAEOMXXWUPFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-phenylacetamide
• IUPAC Traditional name: 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-phenylacetamide
• Synonyms: 2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-phenylacetamide

Database IDs

• MDL Number: MFCD03972501
• PubChem SID: 164313925
• PubChem CID: 2412771

CALCULATED PROPERTIES

• Acid pKa: 12.12918
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.090583235
• LogD (pH = 7.4): -0.0905912
• Log P: -0.09058313
• Molar Refractivity: 65.2014 cm^3
• Polarizability: 24.324036 Å^3
• Polar Surface Area: 69.72 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 279 - 281°C
• Hydrophobicity(logP): 0.466

Product Information

• Purity: 95%