2,2-dimethoxy-N-phenylacetamide

• ChemBase ID: 290024
• Molecular Formular: C10H13NO3
• Molecular Mass: 195.21512
• Monoisotopic Mass: 195.08954328
• SMILES: O=C(Nc1ccccc1)C(OC)OC
• Canonical SMILES: COC(C(=O)Nc1ccccc1)OC
• InChI: InChI=1S/C10H13NO3/c1-13-10(14-2)9(12)11-8-6-4-3-5-7-8/h3-7,10H,1-2H3,(H,11,12)
• InChIKey: MIUQSJXSHMPEBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dimethoxy-N-phenylacetamide
• IUPAC Traditional name: 2,2-dimethoxy-N-phenylacetamide
• Synonyms: 2,2-Dimethoxy-N-phenylacetamide

Database IDs

• CAS Number: 1379259-51-4
• MDL Number: MFCD00026126
• PubChem SID: 180675555
• PubChem CID: 20274205

CALCULATED PROPERTIES

• Acid pKa: 11.368333
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3912209
• LogD (pH = 7.4): 1.3911754
• Log P: 1.3912214
• Molar Refractivity: 53.324 cm^3
• Polarizability: 20.289883 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%