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

• ChemBase ID: 184355
• Molecular Formular: C20H25N3O2
• Molecular Mass: 339.4314
• Monoisotopic Mass: 339.19467706
• SMILES: C12(C(=O)N(c3c1cccc3)CCC)N1C[C@]3(C(=O)[C@@](C1)(CN2C3)C)C
• Canonical SMILES: CCCN1c2ccccc2C2(C1=O)N1C[C@]3(CN2C[C@@](C1)(C3=O)C)C
• InChI: InChI=1S/C20H25N3O2/c1-4-9-23-15-8-6-5-7-14(15)20(17(23)25)21-10-18(2)11-22(20)13-19(3,12-21)16(18)24/h5-8H,4,9-13H2,1-3H3/t18-,19+,20?
• InChIKey: DHUPXYDROXUBOS-YOFSQIOKSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164240265
• PubChem CID: 702963

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.11757
• LogD (pH = 7.4): 3.1366143
• Log P: 3.1368628
• Molar Refractivity: 95.9608 cm^3
• Polarizability: 37.50732 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