Basic information
- Standard SMILES
CN(C(=O)OC(C)(C)C)C1C2CCC1CN(CC(O)COc1ccc(C#N)cc1)C2- InChIKey
NNLBNTZXFHLVBI-UHFFFAOYSA-N- Molecular formula
- C23H33N3O4
- Average molar mass
- 415.5 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 3-[3-(4-cyanophenoxy)-2-hydroxypropyl]-3-azabicyclo-[3.2.1]oct-8-yl(methyl)carbamate
- IUPAC
- tert-butyl N-[3-[3-(4-cyanophenoxy)-2-hydroxypropyl]-3-azabicyclo[3.2.1]octan-8-yl]-N-methylcarbamate
Names & synonyms
SCHEMBL7246413NNLBNTZXFHLVBI-UHFFFAOYSA-Ntert-butyl 3-[3-(4-cyanophenoxy)-2-hydroxypropyl]-3-azabicyclo-[3.2.1]oct-8-yl(methyl)carbamate
Database identifiers
- PubChem CID
- 18540975
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 86 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 618
Related reactions
2 records
Compound notes
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