(5's,7'r)-5,5',7'-trimethyl-1-propyl-1,2-dihydro-1',3'-diazaspiro[indole-3,2'-tricyclo[3.3.1.13,7]decane]-2,6'-dione

• ChemBase ID: 184698
• Molecular Formular: C21H27N3O2
• Molecular Mass: 353.45798
• Monoisotopic Mass: 353.21032712
• SMILES: [C@@]12(C(=O)N(c3c1cc(cc3)C)CCC)N1C[C@@]3(C(=O)[C@](C1)(CN2C3)C)C
• Canonical SMILES: CCCN1c2ccc(cc2[C@@]2(C1=O)N1C[C@]3(CN2C[C@@](C1)(C3=O)C)C)C
• InChI: InChI=1S/C21H27N3O2/c1-5-8-24-16-7-6-14(2)9-15(16)21(18(24)26)22-10-19(3)11-23(21)13-20(4,12-22)17(19)25/h6-7,9H,5,8,10-13H2,1-4H3/t19-,20+,21-
• InChIKey: HNRQAKPGVDSGNL-WKCHPHFGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5's,7'r)-5,5',7'-trimethyl-1-propyl-1,2-dihydro-1',3'-diazaspiro[indole-3,2'-tricyclo[3.3.1.1^3,^7]decane]-2,6'-dione
• IUPAC Traditional name: (5's,7'r)-5,5',7'-trimethyl-1-propyl-1',3'-diazaspiro[indole-3,2'-tricyclo[3.3.1.1^3,^7]decane]-2,6'-dione

Database IDs

• PubChem SID: 164240608
• PubChem CID: 1359248

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.6277406
• LogD (pH = 7.4): 3.649993
• Log P: 3.650284
• Molar Refractivity: 101.002 cm^3
• Polarizability: 39.271297 Å^3
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds