[2-(4-Methoxyanilino)-2-oxoethyl] 3-cyclohexylpropanoate
Basic information
- CAS
502715-44-8- Standard SMILES
COc1ccc(NC(=O)COC(=O)CCC2CCCCC2)cc1- InChIKey
VTADGPIPHSCTQE-UHFFFAOYSA-N- Molecular formula
- C18H25NO4
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.17835828
Names & identifiers
- Preferred name
- [2-(4-Methoxyanilino)-2-oxoethyl] 3-cyclohexylpropanoate
- IUPAC
- [2-(4-methoxyanilino)-2-oxoethyl] 3-cyclohexylpropanoate
Names & synonyms
[2-(4-methoxyanilino)-2-oxoethyl] 3-cyclohexylpropanoateOprea1_457996MLS002246466CHEMBL1734950DTXSID001325782HMS3082M13AKOS033648520502715-44-8SMR001310080SR-01000037379SR-01000037379-1Z18891200
Show more names
2-(4-Methoxyanilino)-2-oxoethyl 3-cyclohexylpropanoate
Database identifiers
- CAS
502715-44-8- PubChem CID
- 2370575
- DTXSID
DTXSID001325782- ChEMBL
CHEMBL1734950
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 371
Experimental & physicochemical properties
Solubility19.4 [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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