N-benzyl-N-(1-cyclopropylethyl)acetamide

• ChemBase ID: 80139
• Molecular Formular: C14H19NO
• Molecular Mass: 217.30676
• Monoisotopic Mass: 217.14666423
• SMILES: N(C(=O)C)(C(C1CC1)C)Cc1ccccc1
• Canonical SMILES: CC(=O)N(C(C1CC1)C)Cc1ccccc1
• InChI: InChI=1S/C14H19NO/c1-11(14-8-9-14)15(12(2)16)10-13-6-4-3-5-7-13/h3-7,11,14H,8-10H2,1-2H3
• InChIKey: KKNCMPFBSNHOCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-(1-cyclopropylethyl)acetamide
• IUPAC Traditional name: N-benzyl-N-(1-cyclopropylethyl)acetamide
• Synonyms: N1-benzyl-N1-(1-cyclopropylethyl)acetamide

Database IDs

• MDL Number: MFCD00661895
• PubChem SID: 162067259
• PubChem CID: 2775846

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3386881
• LogD (pH = 7.4): 2.338689
• Log P: 2.3386893
• Molar Refractivity: 65.2327 cm^3
• Polarizability: 25.54851 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true