2-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenoxy]acetamide

• ChemBase ID: 231161
• Molecular Formular: C12H13N3O4
• Molecular Mass: 263.24932
• Monoisotopic Mass: 263.09060591
• SMILES: N1C(=O)C(NC1=O)(c1ccc(OCC(=O)N)cc1)C
• Canonical SMILES: NC(=O)COc1ccc(cc1)C1(C)NC(=O)NC1=O
• InChI: InChI=1S/C12H13N3O4/c1-12(10(17)14-11(18)15-12)7-2-4-8(5-3-7)19-6-9(13)16/h2-5H,6H2,1H3,(H2,13,16)(H2,14,15,17,18)
• InChIKey: YKICIRUWCMLSIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenoxy]acetamide
• IUPAC Traditional name: 2-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenoxy]acetamide
• Synonyms: 2-[4-(4-Methyl-2,5-dioxo-imidazolidin-4-yl)-phenoxy]-acetamide

Database IDs

• MDL Number: MFCD03952596
• PubChem SID: 164287071
• PubChem CID: 4496761

CALCULATED PROPERTIES

• Acid pKa: 9.797488
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.5676774
• LogD (pH = 7.4): -0.5693714
• Log P: -0.56765574
• Molar Refractivity: 64.4873 cm^3
• Polarizability: 25.054502 Å^3
• Polar Surface Area: 110.52 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 140 - 142°C
• Hydrophobicity(logP): -0.54

Product Information

• Purity: 95%