3-[(2-methoxyethyl)amino]-N-methylpropanamide

• ChemBase ID: 24482
• Molecular Formular: C7H16N2O2
• Molecular Mass: 160.21414
• Monoisotopic Mass: 160.12117776
• SMILES: C(=O)(CCNCCOC)NC
• Canonical SMILES: COCCNCCC(=O)NC
• InChI: InChI=1S/C7H16N2O2/c1-8-7(10)3-4-9-5-6-11-2/h9H,3-6H2,1-2H3,(H,8,10)
• InChIKey: MXAJCGISAUBJSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(2-methoxyethyl)amino]-N-methylpropanamide
• IUPAC Traditional name: 3-[(2-methoxyethyl)amino]-N-methylpropanamide
• Synonyms: 3-[(2-Methoxyethyl)amino]-N-methylpropanamide

Database IDs

• MDL Number: MFCD10687366
• PubChem SID: 160987789
• PubChem CID: 28307186

CALCULATED PROPERTIES

• Acid pKa: 16.253193
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.1793766
• LogD (pH = 7.4): -2.765202
• Log P: -1.1081245
• Molar Refractivity: 43.2398 cm^3
• Polarizability: 17.066732 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false