2-acetamidoethyl acetate

• ChemBase ID: 85062
• Molecular Formular: C6H11NO3
• Molecular Mass: 145.15644
• Monoisotopic Mass: 145.07389322
• SMILES: O=C(NCCOC(=O)C)C
• Canonical SMILES: CC(=O)NCCOC(=O)C
• InChI: InChI=1S/C6H11NO3/c1-5(8)7-3-4-10-6(2)9/h3-4H2,1-2H3,(H,7,8)
• InChIKey: SKPWGBMKZNVXFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-acetamidoethyl acetate
• IUPAC Traditional name: 2-acetamidoethyl acetate
• Synonyms: 2-(acetylamino)ethyl acetate

Database IDs

• MDL Number: MFCD00026208
• PubChem SID: 162072178
• PubChem CID: 85319

CALCULATED PROPERTIES

• Acid pKa: 15.566081
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.055589
• LogD (pH = 7.4): -1.0555888
• Log P: -1.0555888
• Molar Refractivity: 34.8064 cm^3
• Polarizability: 13.839958 Å^3
• Polar Surface Area: 55.4 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true