N-(2-(Diethylamino)ethyl)spiro(1,3-benzodioxole-2,1'-cyclohexane)-2'-carboxamide

HCID 3039596

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Basic information

CAS: 50836-26-5
Standard SMILES: CCN(CC)CCNC(=O)C1CCCCC12Oc1ccccc1O2
InChIKey: OAZGJDJYVZUKQK-UHFFFAOYSA-N
Molecular formula: C19H28N2O3
Average molar mass: 332.4 g/mol
Monoisotopic mass: 332.20999276

Names & identifiers

Preferred name: N-(2-(Diethylamino)ethyl)spiro(1,3-benzodioxole-2,1'-cyclohexane)-2'-carboxamide
IUPAC: N-[2-(diethylamino)ethyl]spiro[1,3-benzodioxole-2,2'-cyclohexane]-1'-carboxamide

Names & synonyms

50836-26-5RefChem:1090942N-(2-(Diethylamino)ethyl)spiro(1,3-benzodioxole-2,1'-cyclohexane)-2'-carboxamideN-(2-Diethylaminoethyl)spiro(cyclohexane-1,2'-benzodioxole)-2-formamide citrateSpiro(cyclohexane-1,2'-benzodioxole)-2-formamide, N-(2-diethylaminoethyl)-, citrateSCHEMBL11843845DTXSID50965074N-[2-(Diethylamino)ethyl]spiro[[1,3]benzodioxole-2,1'-cyclohexane]-2'-carboximidic acidN-[2-(Diethylamino)ethyl]spiro[1,3-benzodioxole-2,1'-cyclohexane]-2'-carboximidic acid

Database identifiers

CAS: 50836-26-5
PubChem CID: 3039596
DTXSID: DTXSID50965074

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 50.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 24
Formal charge: 0
Complexity: 411

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