Basic information
- CAS
568577-14-0- Standard SMILES
COc1cccc(C(=O)NC2CCCc3ccccc32)c1OC- InChIKey
URVNLWWLTPGJJR-UHFFFAOYSA-N- Molecular formula
- C19H21NO3
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.15214353
Names & identifiers
- Preferred name
- 2,3-dimethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
- IUPAC
- 2,3-dimethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
Names & synonyms
2,3-dimethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamideMLS001233742CHEMBL1423665DTXSID801326160HMS2917O09AKOS025069006568577-14-0SMR000592188SR-01000044815SR-01000044815-1Z26397782F5791-3077
Database identifiers
- CAS
568577-14-0- PubChem CID
- 3926422
- DTXSID
DTXSID801326160- ChEMBL
CHEMBL1423665
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 400
Experimental & physicochemical properties
Solubility31.6 [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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