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

HCID 53397

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Basic information

CAS: 75883-40-8
Standard SMILES: COc1c(NC(C)=O)c(OCCNC2CCCCC2)c(OC)c2occc12.Cl.O
InChIKey: BCZCNTNHEZHACS-UHFFFAOYSA-N
Molecular formula: C20H31ClN2O6
Average molar mass: 430.9 g/mol
Monoisotopic mass: 430.1870644

Names & identifiers

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

Names & synonyms

75883-40-8Acetamide, N-(4,7-dimethoxy-6-(2-(cyclohexylamino)ethoxy)-5-benzofuranyl)-, hydrochloride, hydrateN-(4,7-Dimethoxy-6-(2-(cyclohexylamino)ethoxy)-5-benzofuranyl)acetamide hydrochloride hydrateDTXSID20226785RefChem:315218DTXCID50149276N-{6-[2-(Cyclohexylamino)ethoxy]-4,7-dimethoxy-1-benzofuran-5-yl}acetamide--hydrogen chloride--water (1/1/1)

Database identifiers

CAS: 75883-40-8
PubChem CID: 53397
DTXSID: DTXSID20226785

Properties

Computed structural properties

Topological polar surface area: 83 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 7
Rotatable bonds: 8
Heavy atoms: 29
Formal charge: 0
Complexity: 471

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