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N-(2-dimethylaminoethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

N-(2-dimethylaminoethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

Inquiry

Molecular Formula:

C17H27BN2O3

Molecular Weight:

318.22

Product Information

Molecular Formula:

C17H27BN2O3

Molecular Weight:

318.22

Description

N-(2-Dimethylaminoethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide is an extensively studied and widely employed biomedical compound that plays a fundamental role in the multifaceted landscape of disease therapy and investigation. Boasting an array of potential therapeutic attributes, its profound application in the realm of drug design, dedicated to addressing intricate maladies, is unequivocally evident.

Synonyms

N-(2-dimethylaminoethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide; N-[2-(dimethylamino)ethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide; n-[2-(n',n'-dimethylamino)ethyl]benzamide-3-boronic acid, pinacol ester; 3-(2-(DIMETHYLAMINO)ETHYLCARBAMOYL)PHENYLBORONIC ACID, PINACOL ESTER; 3-(2-(Dimethylamino)ethylcarbamoyl)phenylboronic acid pinacol ester; N-(2-dimethylamino-ethyl)-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzamide; n-(2-dimethylaminoethyl)-3-(4,4,5,5-tetramethyl)-1,3,2-dioxaborolan-2-yl benzamide

IUPAC Name

N-[2-(dimethylamino)ethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(=O)NCCN(C)C

InChI

InChI=1S/C17H27BN2O3/c1-16(2)17(3,4)23-18(22-16)14-9-7-8-13(12-14)15(21)19-10-11-20(5)6/h7-9,12H,10-11H2,1-6H3,(H,19,21)

InChI Key

KQUHTIHQDGBEMM-UHFFFAOYSA-N

Flash Point

Not applicable

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

318.2114729 g/mol

Monoisotopic Mass

318.2114729 g/mol

Topological Polar Surface Area

50.8Å²

Heavy Atom Count

Formal Charge

Complexity

410

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
AU-2018347783-A1	MAP4K4 inhibitors	2017-10-13
WO-2019073253-A1	INHIBITORS OF MAP4K4	2017-10-13
EP-3694866-A1	Map4k4 inhibitors	2017-10-13
JP-2020536937-A	MAP4K4 inhibitor	2017-10-13
US-2020339583-A1	Map4k4 inhibitors	2017-10-13
CN-112585147-A	MAP4K4 inhibitors	2017-10-13
US-2019119210-A1	Aromatic sulfonamide derivatives	2016-05-03
EP-3458443-B1	Aromatic sulfonamide derivatives	2016-05-03
US-10844016-B2	Aromatic sulfonamide derivatives	2016-05-03
EP-3763704-A1	Aromatic sulfonamide derivatives	2016-05-03

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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N-(2-dimethylaminoethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

Product Information

Computed Properties

Patents

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