N-[(4-ethylphenyl)methyl]-N-methyl-4-oxochromene-2-carboxamide
Basic information
- CAS
879153-09-0- Standard SMILES
CCc1ccc(CN(C)C(=O)c2cc(=O)c3ccccc3o2)cc1- InChIKey
REIJYJMCPFXFFT-UHFFFAOYSA-N- Molecular formula
- C20H19NO3
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.13649347
Names & identifiers
- Preferred name
- N-[(4-ethylphenyl)methyl]-N-methyl-4-oxochromene-2-carboxamide
- IUPAC
- N-[(4-ethylphenyl)methyl]-N-methyl-4-oxochromene-2-carboxamide
Names & synonyms
MLS001176393CHEMBL1604859DTXSID301323311HMS2910J06N-[(4-ethylphenyl)methyl]-N-methyl-4-oxochromene-2-carboxamideAKOS034134324NCGC00310679-01879153-09-0SMR000596240AB00844018-06Z30469284N-[(4-Ethylphenyl)methyl]-N-methyl-4-oxo-4H-1-benzopyran-2-carboxamide
Database identifiers
- CAS
879153-09-0- PubChem CID
- 9508162
- DTXSID
DTXSID301323311- ChEMBL
CHEMBL1604859
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 505
Experimental & physicochemical properties
Solubility35 [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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