2-(methylamino)-N-(2-phenylethyl)benzamide

• ChemBase ID: 21547
• Molecular Formular: C16H18N2O
• Molecular Mass: 254.32692
• Monoisotopic Mass: 254.14191321
• SMILES: c1(C(=O)NCCc2ccccc2)c(NC)cccc1
• Canonical SMILES: CNc1ccccc1C(=O)NCCc1ccccc1
• InChI: InChI=1S/C16H18N2O/c1-17-15-10-6-5-9-14(15)16(19)18-12-11-13-7-3-2-4-8-13/h2-10,17H,11-12H2,1H3,(H,18,19)
• InChIKey: QDLVHIXBWKCXDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(methylamino)-N-(2-phenylethyl)benzamide
• IUPAC Traditional name: 2-(methylamino)-N-(2-phenylethyl)benzamide
• Synonyms: 2-(Methylamino)-N-phenethylbenzamide

Database IDs

• MDL Number: MFCD00121562
• PubChem SID: 160984854
• PubChem CID: 2806589

CALCULATED PROPERTIES

• Acid pKa: 15.370134
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.1826847
• LogD (pH = 7.4): 3.1834648
• Log P: 3.1834745
• Molar Refractivity: 79.5945 cm^3
• Polarizability: 29.432411 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false