Basic information
- CAS
80626-00-2- Standard SMILES
N#Cc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1- InChIKey
SNLXDVVGWXQXAV-UHFFFAOYSA-N- Molecular formula
- C18H20N2O
- Average molar mass
- 280.4 g/mol
- Monoisotopic mass
- 280.15756327
Names & identifiers
- Preferred name
- N-(1-adamantyl)-4-cyanobenzamide
- IUPAC
- N-(1-adamantyl)-4-cyanobenzamide
Names & synonyms
N-(1-adamantyl)-4-cyanobenzamideOprea1_121624MLS001171068CHEMBL1383907DTXSID801327532HMS2861K21N-(adamantan-1-yl)-4-cyanobenzamideAKOS00016808280626-00-2SMR000588584Z27687167
Database identifiers
- CAS
80626-00-2- PubChem CID
- 3880331
- DTXSID
DTXSID801327532- ChEMBL
CHEMBL1383907
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 439
Experimental & physicochemical properties
Solubility0.8 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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