N-(2,2-dimethoxyethyl)acetamide

• ChemBase ID: 815479
• Molecular Formular: C6H13NO3
• Molecular Mass: 147.17232
• Monoisotopic Mass: 147.08954328
• SMILES: CC(=O)NCC(OC)OC
• Canonical SMILES: COC(CNC(=O)C)OC
• InChI: InChI=1S/C6H13NO3/c1-5(8)7-4-6(9-2)10-3/h6H,4H2,1-3H3,(H,7,8)
• InChIKey: YGEAEJNJEVNVLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,2-dimethoxyethyl)acetamide
• IUPAC Traditional name: N-(2,2-dimethoxyethyl)acetamide
• Synonyms: N-(2,2-dimethoxyethyl)acetamide

Database IDs

• CAS Number: 62005-48-5

CALCULATED PROPERTIES

• Acid pKa: 14.330796
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.5746852
• LogD (pH = 7.4): -0.5746853
• Log P: -0.5746852
• Molar Refractivity: 36.1872 cm^3
• Polarizability: 14.443201 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%