[2-[Cyclohexyl(ethyl)amino]-2-oxoethyl] 2-amino-4-chlorobenzoate
Basic information
- CAS
389816-60-8- Standard SMILES
CCN(C(=O)COC(=O)c1ccc(Cl)cc1N)C1CCCCC1- InChIKey
HBDXKBFMKGBEMS-UHFFFAOYSA-N- Molecular formula
- C17H23ClN2O3
- Average molar mass
- 338.8 g/mol
- Monoisotopic mass
- 338.1397203
Names & identifiers
- Preferred name
- [2-[Cyclohexyl(ethyl)amino]-2-oxoethyl] 2-amino-4-chlorobenzoate
- IUPAC
- [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-amino-4-chlorobenzoate
Names & synonyms
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-amino-4-chlorobenzoateMLS001006152CHEMBL1472086DTXSID601323489HMS2721A13AKOS033710233389816-60-8SMR000349207AB00607656-02SR-01000038522SR-01000038522-1Z19799743
Show more names
2-[Cyclohexyl(ethyl)amino]-2-oxoethyl 2-amino-4-chlorobenzoate
Database identifiers
- CAS
389816-60-8- PubChem CID
- 2371659
- DTXSID
DTXSID601323489- ChEMBL
CHEMBL1472086
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 413
Experimental & physicochemical properties
Solubility2.7 [ug/mL] (The mean of the results at pH 7.4)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…