3-acetyl-N-ethyl-N-[2-(3-methylphenoxy)ethyl]benzamide

• ChemBase ID: 349413
• Molecular Formular: C20H23NO3
• Molecular Mass: 325.40152
• Monoisotopic Mass: 325.1677936
• SMILES: C(=O)(c1cc(C(=O)C)ccc1)N(CCOc1cc(ccc1)C)CC
• Canonical SMILES: CCN(C(=O)c1cccc(c1)C(=O)C)CCOc1cccc(c1)C
• InChI: InChI=1S/C20H23NO3/c1-4-21(11-12-24-19-10-5-7-15(2)13-19)20(23)18-9-6-8-17(14-18)16(3)22/h5-10,13-14H,4,11-12H2,1-3H3
• InChIKey: ISVIMPOPADXKLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-acetyl-N-ethyl-N-[2-(3-methylphenoxy)ethyl]benzamide
• IUPAC Traditional name: 3-acetyl-N-ethyl-N-[2-(3-methylphenoxy)ethyl]benzamide
• Synonyms: 3-acetyl-N-ethyl-N-[2-(3-methylphenoxy)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.883329
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.3431647
• LogD (pH = 7.4): 3.3431647
• Log P: 3.3431647
• Molar Refractivity: 95.6746 cm^3
• Polarizability: 36.2949 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.61
• LOG S: -4.65
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 7