Basic information
- Standard SMILES
COc1c(C)ccc(C(=O)Oc2ccc(C(=O)CNC(C)C)cc2OC(=O)CC(C)C)c1Cl- InChIKey
QKPSHBNAUMQLEL-UHFFFAOYSA-N- Molecular formula
- C25H30ClNO6
- Average molar mass
- 476 g/mol
- Monoisotopic mass
- 475.1761654
Names & identifiers
- Preferred name
- 3-(Isovaleryloxy)-4-(2-chloro-3-methoxy-4-methylbenzoyloxy)phenyl isopropylaminomethyl ketone
- IUPAC
- [2-(3-methylbutanoyloxy)-4-[2-(propan-2-ylamino)acetyl]phenyl] 2-chloro-3-methoxy-4-methylbenzoate
Names & synonyms
SCHEMBL11278564QKPSHBNAUMQLEL-UHFFFAOYSA-N3-(isovaleryloxy)-4-(2-chloro-3-methoxy-4-methylbenzoyloxy)phenyl isopropylaminomethyl ketone
Database identifiers
- PubChem CID
- 20535358
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 669
Related reactions
4 records
Compound notes
Loading…