[2-(N-ethylanilino)-2-oxoethyl] 3-phenylpropanoate
Basic information
- CAS
380198-64-1- Standard SMILES
CCN(C(=O)COC(=O)CCc1ccccc1)c1ccccc1- InChIKey
FUQTZPBGOIUYMZ-UHFFFAOYSA-N- Molecular formula
- C19H21NO3
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.15214353
Names & identifiers
- Preferred name
- [2-(N-ethylanilino)-2-oxoethyl] 3-phenylpropanoate
- IUPAC
- [2-(N-ethylanilino)-2-oxoethyl] 3-phenylpropanoate
Names & synonyms
[2-(N-ethylanilino)-2-oxoethyl] 3-phenylpropanoateMLS001176024CHEMBL1402973DTXSID601323491HMS2896C11AKOS033602677380198-64-1SMR0005908672-[Ethyl(phenyl)amino]-2-oxoethyl 3-phenylpropanoateZ18264742
Database identifiers
- CAS
380198-64-1- PubChem CID
- 2391741
- DTXSID
DTXSID601323491- ChEMBL
CHEMBL1402973
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 371
Experimental & physicochemical properties
Solubility44.3 [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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