N-[3-(2,5-dimethoxyanilino)-3-oxopropyl]furan-2-carboxamide
Basic information
- CAS
878908-08-8- Standard SMILES
COc1ccc(OC)c(NC(=O)CCNC(=O)c2ccco2)c1- InChIKey
DLZAYBASRBLROO-UHFFFAOYSA-N- Molecular formula
- C16H18N2O5
- Average molar mass
- 318.32 g/mol
- Monoisotopic mass
- 318.12157168
Names & identifiers
- Preferred name
- N-[3-(2,5-dimethoxyanilino)-3-oxopropyl]furan-2-carboxamide
- IUPAC
- N-[3-(2,5-dimethoxyanilino)-3-oxopropyl]furan-2-carboxamide
Names & synonyms
MLS001175984CHEMBL1484262DTXSID301330825HMS2890N23N-[3-(2,5-dimethoxyanilino)-3-oxopropyl]furan-2-carboxamideAKOS034147832878908-08-8SMR000596154AB00751056-01Z30942430
Database identifiers
- CAS
878908-08-8- PubChem CID
- 9502225
- DTXSID
DTXSID301330825- ChEMBL
CHEMBL1484262
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 89.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 404
Experimental & physicochemical properties
Solubility44.7 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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