Basic information
- Standard SMILES
O=C(NC1CC2CCCC(C1)N2CC1CCCCCCC1)C1c2ccccc2Oc2ccccc21- InChIKey
CJCNWLSXWBTDCW-UHFFFAOYSA-N- Molecular formula
- C31H40N2O2
- Average molar mass
- 472.7 g/mol
Names & identifiers
- Preferred name
- N-[9-(cyclooctylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]xanthene-9-carboxamide
- IUPAC
- N-[9-(cyclooctylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]-9H-xanthene-9-carboxamide
Names & synonyms
SCHEMBL8185866CJCNWLSXWBTDCW-UHFFFAOYSA-NN-[9-(cyclooctylmethyl)-9-azabicyclo[3.3.1]nonan-3-yl]xanthene-9-carboxamide
Database identifiers
- PubChem CID
- 15480669
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 668
Related reactions
3 records
Compound notes
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