Basic information
- Standard SMILES
Cc1ccc(C(=O)Oc2ccc(C(=O)CNC(C)C)cc2O)c(C)c1C- InChIKey
QGEGPJOKBFGUIA-UHFFFAOYSA-N- Molecular formula
- C21H25NO4
- Average molar mass
- 355.4 g/mol
Names & identifiers
- Preferred name
- 3-Hydroxy-4-(2,3,4-trimethylbenzoyloxy)phenyl isopropylaminomethyl ketone
- IUPAC
- [2-hydroxy-4-[2-(propan-2-ylamino)acetyl]phenyl] 2,3,4-trimethylbenzoate
Names & synonyms
SCHEMBL11288564QGEGPJOKBFGUIA-UHFFFAOYSA-N3-hydroxy-4-(2,3,4-trimethylbenzoyloxy)phenyl isopropylaminomethyl ketone
Database identifiers
- PubChem CID
- 20535341
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 492
Related reactions
4 records
Compound notes
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