3-[(2-methoxyethyl)amino]propanamide

• ChemBase ID: 24404
• Molecular Formular: C6H14N2O2
• Molecular Mass: 146.18756
• Monoisotopic Mass: 146.1055277
• SMILES: C(=O)(CCNCCOC)N
• Canonical SMILES: COCCNCCC(=O)N
• InChI: InChI=1S/C6H14N2O2/c1-10-5-4-8-3-2-6(7)9/h8H,2-5H2,1H3,(H2,7,9)
• InChIKey: BRHFAFOJMGXZSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD10687306
• PubChem SID: 160987711
• PubChem CID: 28307091

CALCULATED PROPERTIES

• Acid pKa: 16.628609
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.4031644
• LogD (pH = 7.4): -2.9892054
• Log P: -1.3318006
• Molar Refractivity: 38.3431 cm^3
• Polarizability: 15.233851 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false