N-[4-({ethyl[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino}methyl)phenyl]acetamide

• ChemBase ID: 680536
• Molecular Formular: C16H22N4O2
• Molecular Mass: 302.37148
• Monoisotopic Mass: 302.17427596
• SMILES: c1(nnc(o1)CC)CN(Cc1ccc(NC(=O)C)cc1)CC
• Canonical SMILES: CCN(Cc1nnc(o1)CC)Cc1ccc(cc1)NC(=O)C
• InChI: InChI=1S/C16H22N4O2/c1-4-15-18-19-16(22-15)11-20(5-2)10-13-6-8-14(9-7-13)17-12(3)21/h6-9H,4-5,10-11H2,1-3H3,(H,17,21)
• InChIKey: FKKMTYFZEHAHPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-({ethyl[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino}methyl)phenyl]acetamide
• IUPAC Traditional name: N-[4-({ethyl[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino}methyl)phenyl]acetamide
• Synonyms: N-[4-({ethyl[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino}methyl)phenyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.355076
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.11519798
• LogD (pH = 7.4): 1.0323896
• Log P: 1.1118407
• Molar Refractivity: 88.1451 cm^3
• Polarizability: 32.407932 Å^3
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.77
• LOG S: -2.92
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 7