Basic information
- CAS
349618-67-3- Standard SMILES
Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1C- InChIKey
FXWNJDJTPFUZHO-UHFFFAOYSA-N- Molecular formula
- C17H17NO3
- Average molar mass
- 283.32 g/mol
- Monoisotopic mass
- 283.1208434
Names & identifiers
- Preferred name
- N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylbenzamide
- IUPAC
- N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylbenzamide
Names & synonyms
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethylbenzamide349618-67-3N-[(2H-1,3-benzodioxol-5-yl)methyl]-3,4-dimethylbenzamideF1018-1628Oprea1_269084Oprea1_784385MLS001197045IFLab1_004485CHEMBL1365174DTXSID201322427HMS1424L19N-(benzo[d][1,3]dioxol-5-ylmethyl)-3,4-dimethylbenzamide
Show more names
SMSSF-0062992STK040393AKOS001652022IDI1_010240SMR000555626ST044063AG-205/37081244SR-01000463035
Database identifiers
- CAS
349618-67-3- PubChem CID
- 670710
- DTXSID
DTXSID201322427- ChEMBL
CHEMBL1365174
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 373
Experimental & physicochemical properties
Solubility31.7 [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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