N-(3,4-dihydroxyphenethyl)-4,5-dimethylfuran-2-carboxamide
Basic information
- CAS
1186647-32-4- Standard SMILES
Cc1cc(C(=O)NCCc2ccc(O)c(O)c2)oc1C- InChIKey
WJDKMPMCRDGFHG-UHFFFAOYSA-N- Molecular formula
- C15H17NO4
- Average molar mass
- 275.3 g/mol
- Monoisotopic mass
- 275.11575802
Names & identifiers
- Preferred name
- N-(3,4-dihydroxyphenethyl)-4,5-dimethylfuran-2-carboxamide
- IUPAC
- N-[2-(3,4-dihydroxyphenyl)ethyl]-4,5-dimethylfuran-2-carboxamide
Names & synonyms
CHEMBL599678cid_25199545DTXSID101170768BDBM503095851186647-32-4MLS-0390954.0001N-(3,4-dihydroxyphenethyl)-4,5-dimethylfuran-2-carboxamideN-[2-(3,4-Dihydroxyphenyl)ethyl]-4,5-dimethyl-2-furancarboxamideN-[2-(3,4-dihydroxyphenyl)ethyl]-4,5-dimethylfuran-2-carboxamide
Database identifiers
- CAS
1186647-32-4- PubChem CID
- 25199545
- DTXSID
DTXSID101170768- ChEMBL
CHEMBL599678
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 82.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 336
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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