(5's,7's)-5'-ethyl-6,6,7'-trimethyl-1',3'-diazaspiro[oxane-4,2'-tricyclo[3.3.1.13,7]decane]-6'-one

• ChemBase ID: 222297
• Molecular Formular: C17H28N2O2
• Molecular Mass: 292.41642
• Monoisotopic Mass: 292.21507815
• SMILES: C12(N3C[C@]4(C(=O)[C@](CN1C4)(C3)CC)C)CC(OCC2)(C)C
• Canonical SMILES: CC[C@]12CN3C[C@@](C2=O)(CN(C1)C13CCOC(C1)(C)C)C
• InChI: InChI=1S/C17H28N2O2/c1-5-16-11-18-9-15(4,13(16)20)10-19(12-16)17(18)6-7-21-14(2,3)8-17/h5-12H2,1-4H3/t15-,16+,17?
• InChIKey: XXZGJKDDYSXRLT-SJPCQFCGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5's,7's)-5'-ethyl-6,6,7'-trimethyl-1',3'-diazaspiro[oxane-4,2'-tricyclo[3.3.1.1^3,^7]decane]-6'-one
• IUPAC Traditional name: (5'S,7'R)-5'-ethyl-6,6,7'-trimethyl-1',3'-diazaspiro[oxane-4,2'-tricyclo[3.3.1.1^3,^7]decane]-6'-one

Database IDs

• PubChem SID: 164278207
• PubChem CID: 39377909

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.7873975
• LogD (pH = 7.4): 2.482216
• Log P: 2.8894014
• Molar Refractivity: 82.1417 cm^3
• Polarizability: 32.94225 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds