4'-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)acetanilide

C₁₄H₂₀BNO₃CAS 214360-60-8261.13 g/mol

Open in Covalent MOL file

Amide Boronic ester

Properties

Molecular formula: C₁₄H₂₀BNO₃
Molar mass: 261.13 g/mol
Exact mass: 261.1536 Da
logP: 1.94Crippen estimate
Polar surface area: 47.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Identifiers

CAS number

214360-60-8

SMILES

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

InChIKey

ANGKVUVZQVUVJO-UHFFFAOYSA-N

InChI

InChI=1S/C14H20BNO3/c1-10(17)16-12-8-6-11(7-9-12)15-18-13(2,3)14(4,5)19-15/h6-9H,1-5H3,(H,16,17)

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Work with 4'-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)acetanilide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

tert-Butyl [4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]carbamate330793-01-663 % similar 4-Acetamidophenylboronic acid101251-09-655 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl acetate480424-70-254 % similar 4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide179117-44-353 % similar 2,2'-((1,1'-Biphenyl)-4,4'-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)207611-87-851 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid180516-87-451 % similar Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate171364-80-050 % similar 1,1-Dimethylethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate850568-72-849 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

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