Basic information
- CAS
83823-18-1- Standard SMILES
CCCCNC(=O)C1=Cc2ccccc2OC1- InChIKey
XDLFBDPWFMTIOW-UHFFFAOYSA-N- Molecular formula
- C14H17NO2
- Average molar mass
- 231.29 g/mol
- Monoisotopic mass
- 231.12592879
Names & identifiers
- Preferred name
- 2H-1-Benzopyran-3-carboxamide, N-butyl-
- IUPAC
- N-butyl-2H-chromene-3-carboxamide
Names & synonyms
2H-1-BENZOPYRAN-3-CARBOXAMIDE, N-BUTYL-N-Butyl-2H-1-benzopyran-3-carboxamideBRN 444203383823-18-1DTXSID80232721RefChem:268327DTXCID10155212N-butyl-2H-chromene-3-carboxamideAKOS002053585
Database identifiers
- CAS
83823-18-1- PubChem CID
- 55155
- DTXSID
DTXSID80232721
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 299
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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