2-(3-phenoxypropyl)-N-(propan-2-yl)benzamide

• ChemBase ID: 864070
• Molecular Formular: C19H23NO2
• Molecular Mass: 297.39142
• Monoisotopic Mass: 297.17287898
• SMILES: C(=O)(c1c(CCCOc2ccccc2)cccc1)NC(C)C
• Canonical SMILES: CC(NC(=O)c1ccccc1CCCOc1ccccc1)C
• InChI: InChI=1S/C19H23NO2/c1-15(2)20-19(21)18-13-7-6-9-16(18)10-8-14-22-17-11-4-3-5-12-17/h3-7,9,11-13,15H,8,10,14H2,1-2H3,(H,20,21)
• InChIKey: ULMJWNWYRRJTEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-phenoxypropyl)-N-(propan-2-yl)benzamide
• IUPAC Traditional name: N-isopropyl-2-(3-phenoxypropyl)benzamide
• Synonyms: N-isopropyl-2-(3-phenoxypropyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.374962
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.1209764
• LogD (pH = 7.4): 4.120977
• Log P: 4.120977
• Molar Refractivity: 89.6323 cm^3
• Polarizability: 34.415154 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.22
• LOG S: -4.97
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 7