N-[2-(2-ethoxyphenyl)ethyl]-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide

• ChemBase ID: 531515
• Molecular Formular: C23H27N3O4
• Molecular Mass: 409.47818
• Monoisotopic Mass: 409.20015636
• SMILES: n1c(noc1CCCC(=O)NCCc1c(OCC)cccc1)c1cc(OC)ccc1
• Canonical SMILES: CCOc1ccccc1CCNC(=O)CCCc1onc(n1)c1cccc(c1)OC
• InChI: InChI=1S/C23H27N3O4/c1-3-29-20-11-5-4-8-17(20)14-15-24-21(27)12-7-13-22-25-23(26-30-22)18-9-6-10-19(16-18)28-2/h4-6,8-11,16H,3,7,12-15H2,1-2H3,(H,24,27)
• InChIKey: VJWNNEDGMOHXEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2-ethoxyphenyl)ethyl]-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
• IUPAC Traditional name: N-[2-(2-ethoxyphenyl)ethyl]-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
• Synonyms: N-[2-(2-ethoxyphenyl)ethyl]-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.273295
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.973885
• LogD (pH = 7.4): 3.973885
• Log P: 3.973885
• Molar Refractivity: 125.7817 cm^3
• Polarizability: 44.443268 Å^3
• Polar Surface Area: 86.48 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 3.21
• LOG S: -4.92
• Polar Surface Area: 86.48 Å^2
• Rotatable Bonds: 11