N-[(4-ethylphenyl)methyl]-3-{5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl}-N-methylpropanamide

• ChemBase ID: 483032
• Molecular Formular: C24H29N3O3
• Molecular Mass: 407.50536
• Monoisotopic Mass: 407.2208918
• SMILES: n1nc(oc1CCc1c(OC)cccc1)CCC(=O)N(Cc1ccc(cc1)CC)C
• Canonical SMILES: CCc1ccc(cc1)CN(C(=O)CCc1nnc(o1)CCc1ccccc1OC)C
• InChI: InChI=1S/C24H29N3O3/c1-4-18-9-11-19(12-10-18)17-27(2)24(28)16-15-23-26-25-22(30-23)14-13-20-7-5-6-8-21(20)29-3/h5-12H,4,13-17H2,1-3H3
• InChIKey: VTJGCAAOFPFRFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-ethylphenyl)methyl]-3-{5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl}-N-methylpropanamide
• IUPAC Traditional name: N-[(4-ethylphenyl)methyl]-3-{5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl}-N-methylpropanamide
• Synonyms: N-(4-ethylbenzyl)-3-{5-[2-(2-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl}-N-methylpropanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.4697876
• LogD (pH = 7.4): 3.4697876
• Log P: 3.4697876
• Molar Refractivity: 118.4148 cm^3
• Polarizability: 44.687172 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.3
• LOG S: -5.68
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 8