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Basic information
- Standard SMILES
Cc1ccc(Oc2ccc(C(=O)CNC(C)(C)C)cc2OC(=O)c2cccnc2)cc1- InChIKey
AUVXQEUWYXOKMN-UHFFFAOYSA-N- Molecular formula
- C25H26N2O4
- Average molar mass
- 418.5 g/mol
- Monoisotopic mass
- 418.18925731
Names & identifiers
- Preferred name
- 3-(Nicotinoyloxy)-4-(p-toluyloxy)phenyl tert-butylaminomethyl ketone
- IUPAC
- [5-[2-(tert-butylamino)acetyl]-2-(4-methylphenoxy)phenyl] pyridine-3-carboxylate
Names & synonyms
SCHEMBL11286505AUVXQEUWYXOKMN-UHFFFAOYSA-N3-(nicotinoyloxy)-4-(p-toluyloxy)phenyl tert-butylaminomethyl ketone
Database identifiers
- PubChem CID
- 53663371
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 595
Related reactions
3 records
Compound notes
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