2-(4-aminophenyl)-N-ethyl-N-phenylacetamide

• ChemBase ID: 260904
• Molecular Formular: C16H18N2O
• Molecular Mass: 254.32692
• Monoisotopic Mass: 254.14191321
• SMILES: C(=O)(N(c1ccccc1)CC)Cc1ccc(N)cc1
• Canonical SMILES: CCN(c1ccccc1)C(=O)Cc1ccc(cc1)N
• InChI: InChI=1S/C16H18N2O/c1-2-18(15-6-4-3-5-7-15)16(19)12-13-8-10-14(17)11-9-13/h3-11H,2,12,17H2,1H3
• InChIKey: DAPYTBLJBBLHFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-aminophenyl)-N-ethyl-N-phenylacetamide
• IUPAC Traditional name: 2-(4-aminophenyl)-N-ethyl-N-phenylacetamide
• Synonyms: 2-(4-aminophenyl)-N-ethyl-N-phenylacetamide

Database IDs

• MDL Number: MFCD09730031
• PubChem SID: 164316814
• PubChem CID: 16783322

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4115667
• LogD (pH = 7.4): 2.436911
• Log P: 2.4372442
• Molar Refractivity: 78.2078 cm^3
• Polarizability: 29.641684 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.177

Product Information

• Purity: 95%