[1-(4-Acetamidoanilino)-1-oxopropan-2-yl] 3-chloroadamantane-1-carboxylate
Basic information
- CAS
454669-11-5- Standard SMILES
CC(=O)Nc1ccc(NC(=O)C(C)OC(=O)C23CC4CC(CC(Cl)(C4)C2)C3)cc1- InChIKey
BPGLIFATZFHPCG-UHFFFAOYSA-N- Molecular formula
- C22H27ClN2O4
- Average molar mass
- 418.9 g/mol
- Monoisotopic mass
- 418.165935
Names & identifiers
- Preferred name
- [1-(4-Acetamidoanilino)-1-oxopropan-2-yl] 3-chloroadamantane-1-carboxylate
- IUPAC
- [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3-chloroadamantane-1-carboxylate
Names & synonyms
[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3-chloroadamantane-1-carboxylateMLS002246076CHEMBL1879002DTXSID501320713HMS3084H04AKOS033667050454669-11-5SMR001309700Z192425381-(4-Acetamidoanilino)-1-oxopropan-2-yl 3-chloroadamantane-1-carboxylate
Database identifiers
- CAS
454669-11-5- PubChem CID
- 3974460
- DTXSID
DTXSID501320713- ChEMBL
CHEMBL1879002
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 674
Experimental & physicochemical properties
Solubility61.5 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…