Basic information
- Standard SMILES
CCOC(=O)C(C)(C)Oc1ccc(CCNC(=O)C=Cc2ccccc2Cl)cc1- InChIKey
BCBUEDQSFZCRJF-UHFFFAOYSA-N- Molecular formula
- C23H26ClNO4
- Average molar mass
- 415.9 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-{4-[2-(2-chlorocinnamoylamino)-ethyl]-phenoxy}-2-methylpropionate
- IUPAC
- ethyl 2-[4-[2-[3-(2-chlorophenyl)prop-2-enoylamino]ethyl]phenoxy]-2-methylpropanoate
Names & synonyms
SCHEMBL11569046BCBUEDQSFZCRJF-UHFFFAOYSA-Nethyl 2-{4-[2-(2-chlorocinnamoylamino)-ethyl]-phenoxy}-2-methylpropionate
Database identifiers
- PubChem CID
- 53674350
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 555
Related reactions
2 records
Compound notes
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