N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-(propan-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide

• ChemBase ID: 760866
• Molecular Formular: C22H31N3O3
• Molecular Mass: 385.49984
• Monoisotopic Mass: 385.23654187
• SMILES: C(=O)(N(Cc1nnc(o1)CC)C(C)C)C(Oc1cc2c(cc1)CCCC2)CC
• Canonical SMILES: CCC(C(=O)N(C(C)C)Cc1nnc(o1)CC)Oc1ccc2c(c1)CCCC2
• InChI: InChI=1S/C22H31N3O3/c1-5-19(27-18-12-11-16-9-7-8-10-17(16)13-18)22(26)25(15(3)4)14-21-24-23-20(6-2)28-21/h11-13,15,19H,5-10,14H2,1-4H3
• InChIKey: OJNJXXGBYHUKJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-(propan-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
• IUPAC Traditional name: N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-isopropyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
• Synonyms: N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-isopropyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.776209
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.853571
• LogD (pH = 7.4): 3.8535712
• Log P: 3.8535712
• Molar Refractivity: 109.8217 cm^3
• Polarizability: 41.738853 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.3
• LOG S: -4.83
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 8