N-{5-[2-(2-hydroxyphenoxy)acetamido]-2-methoxyphenyl}pentanamide

• ChemBase ID: 816392
• Molecular Formular: C20H24N2O5
• Molecular Mass: 372.41496
• Monoisotopic Mass: 372.16852188
• SMILES: c1(NC(=O)CCCC)cc(NC(=O)COc2c(O)cccc2)ccc1OC
• Canonical SMILES: CCCCC(=O)Nc1cc(ccc1OC)NC(=O)COc1ccccc1O
• InChI: InChI=1S/C20H24N2O5/c1-3-4-9-19(24)22-15-12-14(10-11-17(15)26-2)21-20(25)13-27-18-8-6-5-7-16(18)23/h5-8,10-12,23H,3-4,9,13H2,1-2H3,(H,21,25)(H,22,24)
• InChIKey: AAIZWIRCLPPKJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5-[2-(2-hydroxyphenoxy)acetamido]-2-methoxyphenyl}pentanamide
• IUPAC Traditional name: N-{5-[2-(2-hydroxyphenoxy)acetamido]-2-methoxyphenyl}pentanamide
• Synonyms: N-(5-{[(2-hydroxyphenoxy)acetyl]amino}-2-methoxyphenyl)pentanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.923166
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 3.0939903
• LogD (pH = 7.4): 3.0927155
• Log P: 3.0940068
• Molar Refractivity: 104.0191 cm^3
• Polarizability: 39.027138 Å^3
• Polar Surface Area: 96.89 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: 2.08
• LOG S: -3.69
• Polar Surface Area: 96.89 Å^2
• Rotatable Bonds: 9