N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Basic information
- CAS
848286-45-3- Standard SMILES
Cc1ccc(NC(=O)CN(C)C(=O)C2COc3ccccc3O2)cc1- InChIKey
BTZIAXLCQLFZTC-UHFFFAOYSA-N- Molecular formula
- C19H20N2O4
- Average molar mass
- 340.4 g/mol
- Monoisotopic mass
- 340.14230712
Names & identifiers
- Preferred name
- N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
- IUPAC
- N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Names & synonyms
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamideMLS000772145CHEMBL1536549DTXSID201322308HMS1750I11HMS2684F10AKOS017066844848286-45-3SMR000376743Z29243944N-Methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Database identifiers
- CAS
848286-45-3- PubChem CID
- 4801889
- DTXSID
DTXSID201322308- ChEMBL
CHEMBL1536549
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 476
Experimental & physicochemical properties
Solubility47.4 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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