N-(4-acetamidophenyl)-2-(1-adamantyl)acetamide
Basic information
- CAS
730938-66-6- Standard SMILES
CC(=O)Nc1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1- InChIKey
SDSILJUOFGDETE-UHFFFAOYSA-N- Molecular formula
- C20H26N2O2
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.19942808
Names & identifiers
- Preferred name
- N-(4-acetamidophenyl)-2-(1-adamantyl)acetamide
- IUPAC
- N-(4-acetamidophenyl)-2-(1-adamantyl)acetamide
Names & synonyms
N-(4-acetamidophenyl)-2-(1-adamantyl)acetamideMLS001176907CHEMBL1498718DTXSID401320722HMS2914A12AKOS001045548730938-66-6SMR000591470N-(4-Acetamidophenyl)-2-(adamantan-1-yl)acetamideZ27653960
Database identifiers
- CAS
730938-66-6- PubChem CID
- 3955294
- DTXSID
DTXSID401320722- ChEMBL
CHEMBL1498718
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 466
Experimental & physicochemical properties
Solubility21.3 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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