N,N-diethyl-2-phenylbutanamide

• ChemBase ID: 240517
• Molecular Formular: C14H21NO
• Molecular Mass: 219.32264
• Monoisotopic Mass: 219.1623143
• SMILES: C(=O)(C(c1ccccc1)CC)N(CC)CC
• Canonical SMILES: CCC(C(=O)N(CC)CC)c1ccccc1
• InChI: InChI=1S/C14H21NO/c1-4-13(12-10-8-7-9-11-12)14(16)15(5-2)6-3/h7-11,13H,4-6H2,1-3H3
• InChIKey: MKMAIDOENHTYNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethyl-2-phenylbutanamide
• IUPAC Traditional name: N,N-diethyl-2-phenylbutanamide
• Synonyms: N,N-diethyl-2-phenylbutanamide

Database IDs

• MDL Number: MFCD01356286
• PubChem SID: 164296427
• PubChem CID: 4296120

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.9525745
• LogD (pH = 7.4): 2.9525745
• Log P: 2.9525745
• Molar Refractivity: 67.6539 cm^3
• Polarizability: 26.285732 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.862

Product Information

• Purity: 95%