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

• ChemBase ID: 511059
• Molecular Formular: C22H25N3O3
• Molecular Mass: 379.4522
• Monoisotopic Mass: 379.18959168
• SMILES: n1nc(oc1COc1ccccc1)CCC(=O)N(Cc1ccc(cc1)CC)C
• Canonical SMILES: CCc1ccc(cc1)CN(C(=O)CCc1nnc(o1)COc1ccccc1)C
• InChI: InChI=1S/C22H25N3O3/c1-3-17-9-11-18(12-10-17)15-25(2)22(26)14-13-20-23-24-21(28-20)16-27-19-7-5-4-6-8-19/h4-12H,3,13-16H2,1-2H3
• InChIKey: XLMPKVRWSPXMPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-ethylphenyl)methyl]-N-methyl-3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propanamide
• IUPAC Traditional name: N-[(4-ethylphenyl)methyl]-N-methyl-3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propanamide
• Synonyms: N-(4-ethylbenzyl)-N-methyl-3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.865454
• LogD (pH = 7.4): 2.865454
• Log P: 2.865454
• Molar Refractivity: 108.5908 cm^3
• Polarizability: 41.156734 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.85
• LOG S: -4.7
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 8