4-amino-N-ethyl-N-(naphthalen-1-yl)benzamide

• ChemBase ID: 21844
• Molecular Formular: C19H18N2O
• Molecular Mass: 290.35902
• Monoisotopic Mass: 290.14191321
• SMILES: N(C(=O)c1ccc(N)cc1)(c1c2c(ccc1)cccc2)CC
• Canonical SMILES: CCN(c1cccc2c1cccc2)C(=O)c1ccc(cc1)N
• InChI: InChI=1S/C19H18N2O/c1-2-21(19(22)15-10-12-16(20)13-11-15)18-9-5-7-14-6-3-4-8-17(14)18/h3-13H,2,20H2,1H3
• InChIKey: PZIJKAARIDUWEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-N-ethyl-N-(naphthalen-1-yl)benzamide
• IUPAC Traditional name: 4-amino-N-ethyl-N-(naphthalen-1-yl)benzamide
• Synonyms: 4-Amino-N-ethyl-N-(1-naphthyl)benzamide

Database IDs

• MDL Number: MFCD00036002
• PubChem SID: 160985151
• PubChem CID: 80703

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.4453995
• LogD (pH = 7.4): 3.4465408
• Log P: 3.4465554
• Molar Refractivity: 90.6066 cm^3
• Polarizability: 35.34997 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false