Basic information
- CAS
89652-62-0- Standard SMILES
COc1cc(/C=C/C(=O)NC(=O)CC(C)Cl)cc(OC)c1OC- InChIKey
LDRKQAFMKUBPRH-AATRIKPKSA-N- Molecular formula
- C16H20ClNO5
- Average molar mass
- 341.78 g/mol
- Monoisotopic mass
- 341.1030004
Names & identifiers
- Preferred name
- 3-Chloro-N-[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]butanamide
- IUPAC
- 3-chloro-N-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]butanamide
Names & synonyms
DTXSID2011435003-Chloro-N-[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]butanamideButanamide, 3-chloro-N-[1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl]-, (E)-89652-62-0
Database identifiers
- CAS
89652-62-0- PubChem CID
- 92011237
- DTXSID
DTXSID201143500
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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