N-2-adamantyl-3-phenylpropanamide
Basic information
- CAS
6142-81-0- Standard SMILES
O=C(CCc1ccccc1)NC1C2CC3CC(C2)CC1C3- InChIKey
ZDOMEVXXDPDCNN-UHFFFAOYSA-N- Molecular formula
- C19H25NO
- Average molar mass
- 283.4 g/mol
- Monoisotopic mass
- 283.19361442
Names & identifiers
- Preferred name
- N-2-adamantyl-3-phenylpropanamide
- IUPAC
- N-(2-adamantyl)-3-phenylpropanamide
Names & synonyms
N-2-adamantyl-3-phenylpropanamide6142-81-0N-(2-adamantyl)-3-phenylpropanamideCBMicro_047265Cambridge id 6142810Oprea1_120676MLS001001284CHEMBL1319575DTXSID90976982HMS2813P15AKOS001357467SMR000496922
Show more names
BIM-0047198.P001N-(Adamantan-2-yl)-3-phenylpropanimidic acidBRD-K47046776-001-07-0Z57716923
Database identifiers
- CAS
6142-81-0- PubChem CID
- 874886
- DTXSID
DTXSID90976982- ChEMBL
CHEMBL1319575
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 357
Experimental & physicochemical properties
Solubility34.6 [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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