Benzamide, 3-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-

HCID 214788

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Basic information

CAS: 34249-90-6
Standard SMILES: CC(C)(C)NCC(O)COc1cccc(C(N)=O)c1
InChIKey: PXLOHHPIUQSYNA-UHFFFAOYSA-N
Molecular formula: C14H22N2O3
Average molar mass: 266.34 g/mol
Monoisotopic mass: 266.16304257

Names & identifiers

Preferred name: Benzamide, 3-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-
IUPAC: 3-[3-(tert-butylamino)-2-hydroxypropoxy]benzamide

Names & synonyms

RO 4434249-90-6Benzamide, m-(3-(tert-butylamino)-2-hydroxypropoxy)-m-(3-tert-Butylamino-2-hydroxypropoxy)benzamid [German]3-(3-((1,1-Dimethylethyl)amino)-2-hydroxypropoxy)benzamideBenzamide, 3-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-m-(3-tert-Butylamino-2-hydroxypropoxy)benzamidRefChem:321526DTXSID309557913-[3-(tert-Butylamino)-2-hydroxypropoxy]benzene-1-carboximidic acid

Database identifiers

CAS: 34249-90-6
PubChem CID: 214788
DTXSID: DTXSID30955791

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 84.6 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 19
Formal charge: 0
Complexity: 289

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