1,3,8-Triazaspiro(4.5)decan-4-one, 8-(alpha,p-dimethylbenzyl)-1-phenyl-
Basic information
- CAS
2940-60-5- Standard SMILES
Cc1ccc(C(C)N2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1- InChIKey
MBCUBRXUURKNCY-UHFFFAOYSA-N- Molecular formula
- C22H27N3O
- Average molar mass
- 349.5 g/mol
- Monoisotopic mass
- 349.21541249
Names & identifiers
- Preferred name
- 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(alpha,p-dimethylbenzyl)-1-phenyl-
- IUPAC
- 8-[1-(4-methylphenyl)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Names & synonyms
1,3,8-Triazaspiro(4.5)decan-4-one, 8-(alpha,p-dimethylbenzyl)-1-phenyl-1,3,8-Triazaspiro(4.5)decan-4-one, 8-(1-(4-methylphenyl)ethyl)-1-phenyl-2940-60-58-(alpha,p-Dimethylbenzyl)-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-oneD,L-1-Phenyl-4-oxo-8-(1-(4-methylphenyl)ethyl)-1,3,8-triazaspiro(4.5)decaneRefChem:217675DTXSID509519328-[1-(4-Methylphenyl)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-en-4-ol
Database identifiers
- CAS
2940-60-5- PubChem CID
- 200932
- DTXSID
DTXSID50951932
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 35.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 486
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Compound notes
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