Basic information
- CAS
63977-95-7- Standard SMILES
CN1CC2CCC(C1)N2C(=O)C(CO)(c1ccccc1)C1CCCCC1- InChIKey
HUAOWAKTVMUAOA-UHFFFAOYSA-N- Molecular formula
- C22H32N2O2
- Average molar mass
- 356.5 g/mol
- Monoisotopic mass
- 356.24637827
Names & identifiers
- Preferred name
- 3,8-Diazabicyclo(3.2.1)octane, 8-((2'-cyclohexyl-3'-hydroxy-2'-phenyl)propionyl)-3-methyl-, (+,-)-
- IUPAC
- 2-cyclohexyl-3-hydroxy-1-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-phenylpropan-1-one
Names & synonyms
63977-95-73,8-Diazabicyclo(3.2.1)octane, 8-((2'-cyclohexyl-3'-hydroxy-2'-phenyl)propionyl)-3-methyl-, (+,-)-RefChem:2727102-cyclohexyl-3-hydroxy-1-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-phenylpropan-1-oneDTXSID40981445
Database identifiers
- CAS
63977-95-7- PubChem CID
- 45828
- DTXSID
DTXSID40981445
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 484
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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