Basic information
- CAS
108790-62-1- Standard SMILES
CC12CN3CC(C)(CN(C1)C3c1ccc(O)cc1)C2=O- InChIKey
UPGONPAADHTFSG-UHFFFAOYSA-N- Molecular formula
- C16H20N2O2
- Average molar mass
- 272.34 g/mol
- Monoisotopic mass
- 272.15247789
Names & identifiers
- Preferred name
- 1,3-Diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-dimethyl-2-(4-hydroxyphenyl)-
- IUPAC
- 2-(4-hydroxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Names & synonyms
108790-62-12-(4-Hydroxyphenyl)-5,7-dimethyl-6-oxo-1,3-diazaadamantane5,7-Dimethyl-2-(4-hydroxyphenyl)-1,3-diazatricyclo(3.3.1.1(sup 3,7))decan-6-one1,3-Diazatricyclo(3.3.1.1(sup 3,7))decan-6-one, 5,7-dimethyl-2-(4-hydroxyphenyl)-DTXSID80148737RefChem:218342DTXCID30712281,3-Diazatricyclo[3.3.1.13,7]decan-6-one,2-(4-hydroxyphenyl)-5,7-dimethyl-2-(4-hydroxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one1,3-Diazaadamantan-6-one, 2-(4-hydroxyphenyl)-5,7-dimethyl-Oprea1_378205Oprea1_513511
Show more names
UPGONPAADHTFSG-UHFFFAOYSA-NSTK024358AKOS000506597AKOS005379707AB00076436-01AG-690/11629233(1S,2S,5R,7S)-2-(4-hydroxyphenyl)-5,7-dimethyl-1,3-diazaadamantan-6-one(5s,7s)-2-(4-hydroxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
Database identifiers
- CAS
108790-62-1- PubChem CID
- 586554
- DTXSID
DTXSID80148737
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 402
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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