[2-[Benzyl(tert-butyl)amino]-2-oxoethyl] cyclohexanecarboxylate
Basic information
- CAS
736963-22-7- Standard SMILES
CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)C1CCCCC1- InChIKey
LSWUEJOZSFIKKB-UHFFFAOYSA-N- Molecular formula
- C20H29NO3
- Average molar mass
- 331.4 g/mol
- Monoisotopic mass
- 331.21474379
Names & identifiers
- Preferred name
- [2-[Benzyl(tert-butyl)amino]-2-oxoethyl] cyclohexanecarboxylate
- IUPAC
- [2-[benzyl(tert-butyl)amino]-2-oxoethyl] cyclohexanecarboxylate
Names & synonyms
[2-[benzyl(tert-butyl)amino]-2-oxoethyl] cyclohexanecarboxylateMLS002246114CHEMBL1887794DTXSID801320879HMS3094H08AKOS033602828736963-22-7SMR001309737SR-01000042933SR-01000042933-1Z182665532-[Benzyl(tert-butyl)amino]-2-oxoethyl cyclohexanecarboxylate
Database identifiers
- CAS
736963-22-7- PubChem CID
- 4333683
- DTXSID
DTXSID801320879- ChEMBL
CHEMBL1887794
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 415
Experimental & physicochemical properties
Solubility24.4 [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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