Isobutyramide, N-(4,7-dimethoxy-6-(2-piperidinoethoxy)-5-benzofuranyl)-, hydrochloride, hydrate

HCID 53405

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 75883-44-2
Standard SMILES: COc1c(NC(=O)C(C)C)c(OCC[NH+]2CCCCC2)c(OC)c2occc12.[Cl-]
InChIKey: QHUTYUCBCREXNX-UHFFFAOYSA-N
Molecular formula: C21H31ClN2O5
Average molar mass: 426.9 g/mol
Monoisotopic mass: 426.1921498

Names & identifiers

Preferred name: Isobutyramide, N-(4,7-dimethoxy-6-(2-piperidinoethoxy)-5-benzofuranyl)-, hydrochloride, hydrate
IUPAC: N-[4,7-dimethoxy-6-(2-piperidin-1-ium-1-ylethoxy)-1-benzofuran-5-yl]-2-methylpropanamide chloride

Names & synonyms

Isobutyramide, N-(4,7-dimethoxy-6-(2-piperidinoethoxy)-5-benzofuranyl)-, hydrochloride, hydrate75883-44-2N-(4,7-Dimethoxy-6-(2-piperidinoethoxy)-5-benzofuranyl)isobutyramide hydrochloride hydrateRefChem:349572

Database identifiers

CAS: 75883-44-2
PubChem CID: 53405

Properties

Computed structural properties

Topological polar surface area: 74.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 29
Formal charge: 0
Complexity: 497

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…