Basic information
- Standard SMILES
CC(C)CC(=O)Oc1ccc(C(=O)CNC(C)(C)C)cc1O- InChIKey
YBWBYLKWCRDNPN-UHFFFAOYSA-N- Molecular formula
- C17H25NO4
- Average molar mass
- 307.4 g/mol
Names & identifiers
- Preferred name
- 3-Hydroxy-4-(isovaleryloxy)phenyl tert-butylaminomethyl ketone
- IUPAC
- [4-[2-(tert-butylamino)acetyl]-2-hydroxyphenyl] 3-methylbutanoate
Names & synonyms
SCHEMBL11285998YBWBYLKWCRDNPN-UHFFFAOYSA-N3-hydroxy-4-(isovaleryloxy)phenyl tert-butylaminomethyl ketone
Database identifiers
- PubChem CID
- 12295018
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 387
Related reactions
4 records
Compound notes
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