2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide

• ChemBase ID: 275272
• Molecular Formular: C7H11N3O3
• Molecular Mass: 185.18054
• Monoisotopic Mass: 185.08004123
• SMILES: N1(C(=O)NC(C1=O)(C)C)CC(=O)N
• Canonical SMILES: NC(=O)CN1C(=O)NC(C1=O)(C)C
• InChI: InChI=1S/C7H11N3O3/c1-7(2)5(12)10(3-4(8)11)6(13)9-7/h3H2,1-2H3,(H2,8,11)(H,9,13)
• InChIKey: URJRDEJBYXMUGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
• IUPAC Traditional name: 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
• Synonyms: 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide

Database IDs

• MDL Number: MFCD11643111
• PubChem SID: 164331182
• PubChem CID: 43236277

CALCULATED PROPERTIES

• Acid pKa: 11.418561
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.5539742
• LogD (pH = 7.4): -1.5540147
• Log P: -1.5539736
• Molar Refractivity: 43.0568 cm^3
• Polarizability: 16.69099 Å^3
• Polar Surface Area: 92.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.956

Product Information

• Purity: 95%