N-methyl-N-phenylbutanamide

• ChemBase ID: 174219
• Molecular Formular: C11H15NO
• Molecular Mass: 177.2429
• Monoisotopic Mass: 177.11536411
• SMILES: CCCC(=O)N(C)c1ccccc1
• Canonical SMILES: CCCC(=O)N(c1ccccc1)C
• InChI: InChI=1S/C11H15NO/c1-3-7-11(13)12(2)10-8-5-4-6-9-10/h4-6,8-9H,3,7H2,1-2H3
• InChIKey: NGFPEEPVJGCERE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-phenylbutanamide
• IUPAC Traditional name: N-methyl-N-phenylbutanamide
• Synonyms: N-Methyl-N-phenylbutyramide; NSC 6022; N-Methyl-N-phenylbutanamide

Database IDs

• CAS Number: 42883-79-4
• PubChem SID: 164230129
• PubChem CID: 221441

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.2201269
• LogD (pH = 7.4): 2.2201269
• Log P: 2.2201269
• Molar Refractivity: 53.2648 cm^3
• Polarizability: 20.739079 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Light Brown Liquid