6-methoxy-N-(2-methylphenyl)-2-oxochromene-3-carboxamide
Basic information
- CAS
324065-47-6- Standard SMILES
COc1ccc2oc(=O)c(C(=O)Nc3ccccc3C)cc2c1- InChIKey
JPDUGGADVYIFGI-UHFFFAOYSA-N- Molecular formula
- C18H15NO4
- Average molar mass
- 309.3 g/mol
- Monoisotopic mass
- 309.10010796
Names & identifiers
- Preferred name
- 6-methoxy-N-(2-methylphenyl)-2-oxochromene-3-carboxamide
- IUPAC
- 6-methoxy-N-(2-methylphenyl)-2-oxochromene-3-carboxamide
Names & synonyms
324065-47-66-methoxy-N-(2-methylphenyl)-2-oxochromene-3-carboxamide6-Methoxy-2-oxo-2H-chromene-3-carboxylic acid o-tolylamide6-methoxy-N-(2-methylphenyl)-2-oxo-2H-chromene-3-carboxamideBAS 00518714Oprea1_274780Oprea1_843026MLS001207401CHEMBL1587870DTXSID001322726HMS2829O13AKOS000597691
Show more names
CCG-276248SMR000514448ST500031186-methoxy-2-oxo-N-(o-tolyl)-2H-chromene-3-carboxamideF1018-0275(6-methoxy-2-oxochromen-3-yl)-N-(2-methylphenyl)carboxamide6-Methoxy-N-(2-methylphenyl)-2-oxo-2H-1-benzopyran-3-carboxamide
Database identifiers
- CAS
324065-47-6- PubChem CID
- 804906
- DTXSID
DTXSID001322726- ChEMBL
CHEMBL1587870
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 501
Experimental & physicochemical properties
Solubility2.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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