2,4-Hexadienamide, N-(2-hydroxy-2-methylpropyl)-6-phenyl-, (E,E)-
Basic information
- CAS
120262-71-7- Standard SMILES
CC(C)(O)CNC(=O)/C=C/C=C/Cc1ccccc1- InChIKey
VQRMWYSVDQFYBE-HCFISPQYSA-N- Molecular formula
- C16H21NO2
- Average molar mass
- 259.34 g/mol
- Monoisotopic mass
- 259.15722891
Names & identifiers
- Preferred name
- 2,4-Hexadienamide, N-(2-hydroxy-2-methylpropyl)-6-phenyl-, (E,E)-
- IUPAC
- (2E,4E)-N-(2-hydroxy-2-methylpropyl)-6-phenylhexa-2,4-dienamide
Names & synonyms
2,4-Hexadienamide, N-(2-hydroxy-2-methylpropyl)-6-phenyl-, (E,E)-120262-71-7RefChem:1059819(E,E)-N-(2-Hydroxy-2-methylpropyl)-6-phenyl-2,4-hexadienamideCHEMBL470771
Database identifiers
- CAS
120262-71-7- PubChem CID
- 6449397
- ChEMBL
CHEMBL470771- Nikkaji
- J958.041G
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 326
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Compound notes
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