3,3-diethoxypropanamide

• ChemBase ID: 285279
• Molecular Formular: C7H15NO3
• Molecular Mass: 161.1989
• Monoisotopic Mass: 161.10519335
• SMILES: C(C(=O)N)C(OCC)OCC
• Canonical SMILES: CCOC(CC(=O)N)OCC
• InChI: InChI=1S/C7H15NO3/c1-3-10-7(11-4-2)5-6(8)9/h7H,3-5H2,1-2H3,(H2,8,9)
• InChIKey: MVRNDGSFTDOMJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3-diethoxypropanamide
• IUPAC Traditional name: 3,3-diethoxypropanamide
• Synonyms: 3,3-diethoxypropanamide

Database IDs

• MDL Number: MFCD20693447
• PubChem SID: 180670810
• PubChem CID: 14840774

CALCULATED PROPERTIES

• Acid pKa: 16.370535
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.025121335
• LogD (pH = 7.4): 0.025121337
• Log P: 0.025121337
• Molar Refractivity: 40.897 cm^3
• Polarizability: 16.26776 Å^3
• Polar Surface Area: 61.55 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 51 - 53°C
• Hydrophobicity(logP): -0.414

Product Information

• Purity: 95%