[2-(4-Acetylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
Basic information
- CAS
1005085-18-6- Standard SMILES
CC(=O)c1ccc(NC(=O)COC(=O)CC2CC3CCC2C3)cc1- InChIKey
DIGGMOPFOJIQPU-UHFFFAOYSA-N- Molecular formula
- C19H23NO4
- Average molar mass
- 329.4 g/mol
- Monoisotopic mass
- 329.16270821
Names & identifiers
- Preferred name
- [2-(4-Acetylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
- IUPAC
- [2-(4-acetylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
Names & synonyms
MLS002249669CHEMBL1717331DTXSID701103713HMS3050O22[2-(4-acetylanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetateAKOS0336423571005085-18-6SMR001317095AB00713965-01SR-01000034105SR-01000034105-1Z18773216
Database identifiers
- CAS
1005085-18-6- PubChem CID
- 5086550
- DTXSID
DTXSID701103713- ChEMBL
CHEMBL1717331
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 72.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 496
Experimental & physicochemical properties
Solubility37.5 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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