2-methoxypropanamide

• ChemBase ID: 277841
• Molecular Formular: C4H9NO2
• Molecular Mass: 103.11976
• Monoisotopic Mass: 103.06332853
• SMILES: C(=O)(C(OC)C)N
• Canonical SMILES: CC(C(=O)N)OC
• InChI: InChI=1S/C4H9NO2/c1-3(7-2)4(5)6/h3H,1-2H3,(H2,5,6)
• InChIKey: WOGXHNJBKGZMHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxypropanamide
• IUPAC Traditional name: 2-methoxypropanamide
• Synonyms: 2-methoxypropanamide

Database IDs

• MDL Number: MFCD07187805
• PubChem SID: 164333751
• PubChem CID: 4227872

CALCULATED PROPERTIES

• Acid pKa: 15.937504
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.6356456
• LogD (pH = 7.4): -0.6356456
• Log P: -0.6356456
• Molar Refractivity: 25.4132 cm^3
• Polarizability: 10.050503 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 81 - 83°C
• Hydrophobicity(logP): -0.857

Product Information

• Purity: 95%