Basic information
- CAS
790725-62-1- Standard SMILES
CC1CC1C(=O)OCC(=O)NC(=O)c1ccc(C(C)(C)C)cc1- InChIKey
FQPQBYQPTGBKAM-UHFFFAOYSA-N- Molecular formula
- C18H23NO4
- Average molar mass
- 317.4 g/mol
- Monoisotopic mass
- 317.16270821
Names & identifiers
- Preferred name
- [2-[(4-Tert-butylbenzoyl)amino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
- IUPAC
- [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
Names & synonyms
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylateMLS002248249CHEMBL1735499DTXSID701328894HMS3081B08AKOS033627081790725-62-1SMR001315727SR-01000059201SR-01000059201-1Z185087062-(4-tert-Butylbenzamido)-2-oxoethyl 2-methylcyclopropane-1-carboxylate
Database identifiers
- CAS
790725-62-1- PubChem CID
- 4875476
- DTXSID
DTXSID701328894- ChEMBL
CHEMBL1735499
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 72.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 472
Experimental & physicochemical properties
Solubility7.5 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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