N-[(5-ethylpyridin-2-yl)methyl]-N-methyl-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide

• ChemBase ID: 343334
• Molecular Formular: C24H30N4O2
• Molecular Mass: 406.5206
• Monoisotopic Mass: 406.23687622
• SMILES: n1nc(oc1CCC(=O)N(Cc1ncc(cc1)CC)C)CCCCc1ccccc1
• Canonical SMILES: CCc1ccc(nc1)CN(C(=O)CCc1nnc(o1)CCCCc1ccccc1)C
• InChI: InChI=1S/C24H30N4O2/c1-3-19-13-14-21(25-17-19)18-28(2)24(29)16-15-23-27-26-22(30-23)12-8-7-11-20-9-5-4-6-10-20/h4-6,9-10,13-14,17H,3,7-8,11-12,15-16,18H2,1-2H3
• InChIKey: ZEBOCNCBTNACGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-ethylpyridin-2-yl)methyl]-N-methyl-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide
• IUPAC Traditional name: N-[(5-ethylpyridin-2-yl)methyl]-N-methyl-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide
• Synonyms: N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.3315287
• LogD (pH = 7.4): 3.3797421
• Log P: 3.3803957
• Molar Refractivity: 118.4745 cm^3
• Polarizability: 44.95453 Å^3
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.94
• LOG S: -5.94
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 10