3-(2-methoxyphenoxy)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)azetidine-1-carboxamide

• ChemBase ID: 705858
• Molecular Formular: C21H24N2O3
• Molecular Mass: 352.42686
• Monoisotopic Mass: 352.17869264
• SMILES: C(=O)(N1CC(C1)Oc1c(OC)cccc1)Nc1c2c(ccc1)CCCC2
• Canonical SMILES: COc1ccccc1OC1CN(C1)C(=O)Nc1cccc2c1CCCC2
• InChI: InChI=1S/C21H24N2O3/c1-25-19-11-4-5-12-20(19)26-16-13-23(14-16)21(24)22-18-10-6-8-15-7-2-3-9-17(15)18/h4-6,8,10-12,16H,2-3,7,9,13-14H2,1H3,(H,22,24)
• InChIKey: KPVVABSOPTVTQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methoxyphenoxy)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)azetidine-1-carboxamide
• IUPAC Traditional name: 3-(2-methoxyphenoxy)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)azetidine-1-carboxamide
• Synonyms: 3-(2-methoxyphenoxy)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)azetidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.484813
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.1516376
• LogD (pH = 7.4): 4.151637
• Log P: 4.1516376
• Molar Refractivity: 101.5899 cm^3
• Polarizability: 38.568787 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.7
• LOG S: -4.93
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 4