2-(ethylamino)propanamide

• ChemBase ID: 308422
• Molecular Formular: C5H12N2O
• Molecular Mass: 116.16158
• Monoisotopic Mass: 116.09496301
• SMILES: C(=O)(C(NCC)C)N
• Canonical SMILES: CC(C(=O)N)NCC
• InChI: InChI=1S/C5H12N2O/c1-3-7-4(2)5(6)8/h4,7H,3H2,1-2H3,(H2,6,8)
• InChIKey: ABRZPTWMDNJLMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(ethylamino)propanamide
• IUPAC Traditional name: 2-(ethylamino)propanamide
• Synonyms: N~2~-ethylalaninamide

Database IDs

• CAS Number: 225229-01-6
• MDL Number: MFCD11176126

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.6441123
• LogD (pH = 7.4): -2.188217
• Log P: -0.59626555
• Molar Refractivity: 31.8427 cm^3
• Polarizability: 12.678941 Å^3
• Polar Surface Area: 55.12 Å^2