Basic information
- CAS
352649-21-9- Standard SMILES
COc1ccccc1OCC(=O)Nc1ccc2c(c1)OCCO2- InChIKey
PYXDQUKGJHOVLR-UHFFFAOYSA-N- Molecular formula
- C17H17NO5
- Average molar mass
- 315.32 g/mol
- Monoisotopic mass
- 315.11067264
Names & identifiers
- Preferred name
- N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)acetamide
- IUPAC
- N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)acetamide
Names & synonyms
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)acetamide352649-21-9CBMicro_027858Cambridge id 5686190Oprea1_416665MLS001219367CHEMBL1420357DTXSID101326357HMS2905P14STK122798AKOS000642925N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2-(2-methoxy-phenoxy)-acetamide
Show more names
SMR000612317ST062120BIM-0027978.P001AG-670/11900239Z19753473N-(2H,3H-benzo[3,4-e]1,4-dioxan-6-yl)-2-(2-methoxyphenoxy)acetamide
Database identifiers
- CAS
352649-21-9- PubChem CID
- 868039
- DTXSID
DTXSID101326357- ChEMBL
CHEMBL1420357
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 391
Experimental & physicochemical properties
Solubility39.1 [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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