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Basic information
- CAS
500789-57-1- Standard SMILES
CCCCNC(=O)c1cccc(OC)c1OC- InChIKey
IJUQKMXTGSUKLP-UHFFFAOYSA-N- Molecular formula
- C13H19NO3
- Average molar mass
- 237.29 g/mol
- Monoisotopic mass
- 237.13649347
Names & identifiers
- Preferred name
- N-butyl-2,3-dimethoxybenzamide
- IUPAC
- N-butyl-2,3-dimethoxybenzamide
Names & synonyms
N-butyl-2,3-dimethoxybenzamideNSC406151SCHEMBL3956748IJUQKMXTGSUKLP-UHFFFAOYSA-NDTXSID601306405AKOS017080254NSC-406151500789-57-1
Database identifiers
- CAS
500789-57-1- PubChem CID
- 347459
- DTXSID
DTXSID601306405
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 233
Related reactions
4 records
Compound notes
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