N-[2-(2-phenoxyethoxy)phenyl]-6-azaspiro[2.5]octane-1-carboxamide

• ChemBase ID: 429235
• Molecular Formular: C22H26N2O3
• Molecular Mass: 366.45344
• Monoisotopic Mass: 366.1943427
• SMILES: C1(C2(C1)CCNCC2)C(=O)Nc1c(OCCOc2ccccc2)cccc1
• Canonical SMILES: O=C(C1CC21CCNCC2)Nc1ccccc1OCCOc1ccccc1
• InChI: InChI=1S/C22H26N2O3/c25-21(18-16-22(18)10-12-23-13-11-22)24-19-8-4-5-9-20(19)27-15-14-26-17-6-2-1-3-7-17/h1-9,18,23H,10-16H2,(H,24,25)
• InChIKey: IDQWJUAZVUUELM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2-phenoxyethoxy)phenyl]-6-azaspiro[2.5]octane-1-carboxamide
• IUPAC Traditional name: N-[2-(2-phenoxyethoxy)phenyl]-6-azaspiro[2.5]octane-1-carboxamide
• Synonyms: N-[2-(2-phenoxyethoxy)phenyl]-6-azaspiro[2.5]octane-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.355713
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.29584208
• LogD (pH = 7.4): 0.39012346
• Log P: 2.9242527
• Molar Refractivity: 105.5895 cm^3
• Polarizability: 40.958744 Å^3
• Polar Surface Area: 59.59 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.34
• LOG S: -3.87
• Polar Surface Area: 59.59 Å^2
• Rotatable Bonds: 7