[2-[Cyclohexyl(methyl)amino]-2-oxoethyl] 2-amino-4-chlorobenzoate
Basic information
- CAS
509108-68-3- Standard SMILES
CN(C(=O)COC(=O)c1ccc(Cl)cc1N)C1CCCCC1- InChIKey
HVCWELMNCGYHCW-UHFFFAOYSA-N- Molecular formula
- C16H21ClN2O3
- Average molar mass
- 324.8 g/mol
- Monoisotopic mass
- 324.1240702
Names & identifiers
- Preferred name
- [2-[Cyclohexyl(methyl)amino]-2-oxoethyl] 2-amino-4-chlorobenzoate
- IUPAC
- [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-amino-4-chlorobenzoate
Names & synonyms
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-amino-4-chlorobenzoateOprea1_155184MLS001006132CHEMBL1471882DTXSID601324718HMS2728O16AKOS033710240509108-68-3SMR000349205AB00607597-02SR-01000038514SR-01000038514-1
Show more names
Z197998322-[Cyclohexyl(methyl)amino]-2-oxoethyl 2-amino-4-chlorobenzoate
Database identifiers
- CAS
509108-68-3- PubChem CID
- 2371624
- DTXSID
DTXSID601324718- ChEMBL
CHEMBL1471882
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 399
Experimental & physicochemical properties
Solubility0.7 [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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