8-methyl-8-azabicyclo[3.2.1]octan-3-yl 4-ethoxybenzoate

• ChemBase ID: 215537
• Molecular Formular: C17H23NO3
• Molecular Mass: 289.36942
• Monoisotopic Mass: 289.1677936
• SMILES: N1(C2CC(CC1CC2)OC(=O)c1ccc(cc1)OCC)C
• Canonical SMILES: CCOc1ccc(cc1)C(=O)OC1CC2CCC(C1)N2C
• InChI: InChI=1S/C17H23NO3/c1-3-20-15-8-4-12(5-9-15)17(19)21-16-10-13-6-7-14(11-16)18(13)2/h4-5,8-9,13-14,16H,3,6-7,10-11H2,1-2H3
• InChIKey: SECVMSAYDWBWJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methyl-8-azabicyclo[3.2.1]octan-3-yl 4-ethoxybenzoate
• IUPAC Traditional name: 8-methyl-8-azabicyclo[3.2.1]octan-3-yl 4-ethoxybenzoate

Database IDs

• PubChem SID: 164271447
• PubChem CID: 2964824

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.6181789
• LogD (pH = 7.4): 0.76776236
• Log P: 2.7279973
• Molar Refractivity: 81.6276 cm^3
• Polarizability: 32.06449 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds