Benzamide, N-(3-(bis(2-hydroxyethyl)amino)propyl)-o-isopentoxy-, hydrochloride

HCID 54077

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Basic information

CAS: 78109-78-1
Standard SMILES: CC(C)CCOc1ccccc1C(=O)NCCC[NH+](CCO)CCO.[Cl-]
InChIKey: MGSDUXNQYCKNAZ-UHFFFAOYSA-N
Molecular formula: C19H33ClN2O4
Average molar mass: 388.9 g/mol
Monoisotopic mass: 388.2128852

Names & identifiers

Preferred name: Benzamide, N-(3-(bis(2-hydroxyethyl)amino)propyl)-o-isopentoxy-, hydrochloride
IUPAC: bis(2-hydroxyethyl)-[3-[[2-(3-methylbutoxy)benzoyl]amino]propyl]azanium chloride

Names & synonyms

N-(3-(Bis(2-hydroxyethyl)amino)propyl)-o-isopentoxybenzamide hydrochloride78109-78-1BENZAMIDE, N-(3-(BIS(2-HYDROXYETHYL)AMINO)PROPYL)-o-ISOPENTOXY-, HYDROCHLORIDERefChem:322307

Database identifiers

CAS: 78109-78-1
PubChem CID: 54077

Properties

Computed structural properties

Topological polar surface area: 83.2 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 5
Rotatable bonds: 13
Heavy atoms: 26
Formal charge: 0
Complexity: 346

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