N-butyl-N-(furan-2-ylmethyl)-2-phenylpropanamide

• ChemBase ID: 643986
• Molecular Formular: C18H23NO2
• Molecular Mass: 285.38072
• Monoisotopic Mass: 285.17287898
• SMILES: C(=O)(N(Cc1occc1)CCCC)C(c1ccccc1)C
• Canonical SMILES: CCCCN(C(=O)C(c1ccccc1)C)Cc1ccco1
• InChI: InChI=1S/C18H23NO2/c1-3-4-12-19(14-17-11-8-13-21-17)18(20)15(2)16-9-6-5-7-10-16/h5-11,13,15H,3-4,12,14H2,1-2H3
• InChIKey: QQYDWNBESVMRIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-butyl-N-(furan-2-ylmethyl)-2-phenylpropanamide
• IUPAC Traditional name: N-butyl-N-(furan-2-ylmethyl)-2-phenylpropanamide
• Synonyms: N-butyl-N-(2-furylmethyl)-2-phenylpropanamide

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 33.45 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.9030087
• LogD (pH = 7.4): 3.9030087
• Log P: 3.9030087
• Molar Refractivity: 84.4328 cm^3
• Polarizability: 32.72662 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 33.45 Å^2
• Rotatable Bonds: 7
• H Acceptors: 2
• H Donor: 0
• Log P: 3.73
• LOG S: -4.46