Acetamide, N-(4,7-dimethoxy-6-(2-(dimethylamino)ethoxy)-5-benzofuranyl)-, hydrochloride, hydrate

HCID 47883

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Basic information

CAS: 66236-87-1
Standard SMILES: COc1c(NC(C)=O)c(OCCN(C)C)c(OC)c2occc12.Cl.O
InChIKey: XIOWNDHEPDZCRK-UHFFFAOYSA-N
Molecular formula: C16H25ClN2O6
Average molar mass: 376.8 g/mol
Monoisotopic mass: 376.1401142

Names & identifiers

Preferred name: Acetamide, N-(4,7-dimethoxy-6-(2-(dimethylamino)ethoxy)-5-benzofuranyl)-, hydrochloride, hydrate
IUPAC: N-[6-[2-(dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl]acetamide;hydrate;hydrochloride

Names & synonyms

Acetamide, N-(4,7-dimethoxy-6-(2-(dimethylamino)ethoxy)-5-benzofuranyl)-, hydrochloride, hydrateN-(4,7-Dimethoxy-6-(2-(dimethylamino)ethoxy)-5-benzofuranyl)acetamide hydrochloride hydrate66236-87-1DTXSID90216436RefChem:315220DTXCID90138927N-{6-[2-(Dimethylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl}acetamide--hydrogen chloride--water (1/1/1)

Database identifiers

CAS: 66236-87-1
PubChem CID: 47883
DTXSID: DTXSID90216436

Properties

Computed structural properties

Topological polar surface area: 74.2 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 7
Heavy atoms: 25
Formal charge: 0
Complexity: 393

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