2-amino-N-benzyl-N-ethylbutanamide

• ChemBase ID: 241965
• Molecular Formular: C13H20N2O
• Molecular Mass: 220.3107
• Monoisotopic Mass: 220.15756327
• SMILES: C(=O)(N(Cc1ccccc1)CC)C(N)CC
• Canonical SMILES: CCN(C(=O)C(CC)N)Cc1ccccc1
• InChI: InChI=1S/C13H20N2O/c1-3-12(14)13(16)15(4-2)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10,14H2,1-2H3
• InChIKey: RHQLEROLIAZCET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-benzyl-N-ethylbutanamide
• IUPAC Traditional name: 2-amino-N-benzyl-N-ethylbutanamide
• Synonyms: 2-amino-N-benzyl-N-ethylbutanamide

Database IDs

• MDL Number: MFCD12104714
• PubChem SID: 164297875
• PubChem CID: 19963910

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0183482
• LogD (pH = 7.4): 0.59147173
• Log P: 1.6655017
• Molar Refractivity: 65.9981 cm^3
• Polarizability: 25.96235 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.896

Product Information

• Purity: 95%