2-Oxo-3-phenethyl-3,10-diaza-bicyclo[4.3.1]decane-10-carboxylic Acid tert-Butyl Ester
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Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1C2CCCC1C(=O)N(CCc1ccccc1)CC2- InChIKey
LWPQLFXXVSKRJE-UHFFFAOYSA-N- Molecular formula
- C21H30N2O3
- Average molar mass
- 358.5 g/mol
Names & identifiers
- Preferred name
- 2-Oxo-3-phenethyl-3,10-diaza-bicyclo[4.3.1]decane-10-carboxylic Acid tert-Butyl Ester
- IUPAC
- tert-butyl 2-oxo-3-(2-phenylethyl)-3,10-diazabicyclo[4.3.1]decane-10-carboxylate
Names & synonyms
SCHEMBL6625880LWPQLFXXVSKRJE-UHFFFAOYSA-N2-Oxo-3-phenethyl-3,10-diaza-bicyclo[4.3.1]decane-10-carboxylic Acid tert-Butyl Ester
Database identifiers
- PubChem CID
- 21363746
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 508
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Related reactions
1 records
Compound notes
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