Benzenepropanamide, 2-(acetoxy)-N-(4-methoxyphenyl)-beta,beta,4,6-tetramethyl-

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Basic information

CAS: 134098-69-4
Standard SMILES: COc1ccc(NC(=O)CC(C)(C)c2c(C)cc(C)cc2OC(C)=O)cc1
InChIKey: GYXBEHNBDPFBIF-UHFFFAOYSA-N
Molecular formula: C22H27NO4
Average molar mass: 369.5 g/mol
Monoisotopic mass: 369.19400834

Names & identifiers

Preferred name: Benzenepropanamide, 2-(acetoxy)-N-(4-methoxyphenyl)-beta,beta,4,6-tetramethyl-
IUPAC: [2-[4-(4-methoxyanilino)-2-methyl-4-oxobutan-2-yl]-3,5-dimethylphenyl] acetate

Names & synonyms

Benzenepropanamide, 2-(acetoxy)-N-(4-methoxyphenyl)-beta,beta,4,6-tetramethyl-134098-69-4CHEMBL431078DTXSID501585402-[4-(4-Methoxyanilino)-2-methyl-4-oxobutan-2-yl]-3,5-dimethylphenyl acetate

Database identifiers

CAS: 134098-69-4
PubChem CID: 179271
DTXSID: DTXSID50158540
ChEMBL: CHEMBL431078

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 64.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 27
Formal charge: 0
Complexity: 510

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