Basic information
- CAS
794537-48-7- Standard SMILES
Cc1ccc(OCCC(=O)Nc2ccc3c(c2)OCO3)cc1- InChIKey
KGGGKRNMQPWOSL-UHFFFAOYSA-N- Molecular formula
- C17H17NO4
- Average molar mass
- 299.32 g/mol
- Monoisotopic mass
- 299.11575802
Names & identifiers
- Preferred name
- N-(1,3-benzodioxol-5-yl)-3-(4-methylphenoxy)propanamide
- IUPAC
- N-(1,3-benzodioxol-5-yl)-3-(4-methylphenoxy)propanamide
Names & synonyms
N-(1,3-benzodioxol-5-yl)-3-(4-methylphenoxy)propanamideMLS002162471CHEMBL1395934DTXSID201322346HMS3045A07AKOS034021913794537-48-7SMR000827168Z27647881N-(2H-1,3-benzodioxol-5-yl)-3-(4-methylphenoxy)propanamide
Database identifiers
- CAS
794537-48-7- PubChem CID
- 2572085
- DTXSID
DTXSID201322346- ChEMBL
CHEMBL1395934
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 368
Experimental & physicochemical properties
Solubility14.8 [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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