Acetamide, 2-(ethyl(phenylmethyl)amino)-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, monohydrochloride, (4-alpha,4a-beta,9b-beta)-

HCID 3045102

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Basic information

CAS: 58322-98-8
Standard SMILES: CCN(CC(=O)N[C@@H]1C(=O)CC[C@]2(C)c3cc(C)ccc3O[C@H]12)Cc1ccccc1.Cl
InChIKey: SDSVZXJYZCDNBS-RFCMRFBMSA-N
Molecular formula: C25H31ClN2O3
Average molar mass: 443 g/mol
Monoisotopic mass: 442.2023205

Names & identifiers

Preferred name: Acetamide, 2-(ethyl(phenylmethyl)amino)-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, monohydrochloride, (4-alpha,4a-beta,9b-beta)-
IUPAC: N-[(4S,4aS,9bR)-8,9b-dimethyl-3-oxo-1,2,4,4a-tetrahydrodibenzofuran-4-yl]-2-[benzyl(ethyl)amino]acetamide;hydrochloride

Names & synonyms

58322-98-8Acetamide, 2-(ethyl(phenylmethyl)amino)-N-(1,2,3,4,4a,9b-hexahydro-8,9b-dimethyl-3-oxo-4-dibenzofuranyl)-, monohydrochloride, (4-alpha,4a-beta,9b-beta)-RefChem:314618DTXSID00973861[Benzyl(ethyl)amino]-N-[(4S,4aS,9bR)-8,9b-dimethyl-3-oxo-1,2,3,4,4a,9b-hexahydrodibenzo[b,d]furan-4-yl]ethanimidic acid--hydrogen chloride (1/1)2-[Benzyl(ethyl)amino]-N-(8,9b-dimethyl-3-oxo-1,2,3,4,4a,9b-hexahydrodibenzo[b,d]furan-4-yl)ethanimidic acid--hydrogen chloride (1/1)

Database identifiers

CAS: 58322-98-8
PubChem CID: 3045102
DTXSID: DTXSID00973861

Properties

Computed structural properties

Topological polar surface area: 58.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 31
Formal charge: 0
Complexity: 632

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