N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methylphenyl)acetamide
Basic information
- Standard SMILES
Cc1ccc(CC(=O)NCc2ccc3c(c2)OCO3)cc1- InChIKey
WPDXWTNIEJGDQF-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)-2-(4-methylphenyl)acetamide
- IUPAC
- N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methylphenyl)acetamide
Names & synonyms
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methylphenyl)acetamideMLS000528950N-Benzo[1,3]dioxol-5-ylmethyl-2-p-tolyl-acetamideCHEMBL1313355HMS2336J24STL260020AKOS000652419SMR000121425ST50022354N-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)-2-(4-methylphenyl)acetamideN-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-2-(4-METHYLPHENYL)ACETAMIDE
Database identifiers
- PubChem CID
- 890591
- ChEMBL
CHEMBL1313355
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 352
Related reactions
94 records
Compound notes
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