B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)C(=O)NC3CC3)C
CAS: 515135-67-8
Name: N-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)C(=O)NC3CC3)C

Molecular Processing

Molecular formula
C17H24BNO3
Molecular weight
301.2
Exact mass
301.1849
XLogP
2.19
TPSA
47.56
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
87.38

Supplementary Information

InChIKey: GLSSVRGOTTUQNM-UHFFFAOYSA-N
Synonyme
515135-67-8N-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamideBenzamide, N-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-MFCD13191775Benzamide,N-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-SCHEMBL380118GLSSVRGOTTUQNM-UHFFFAOYSA-NAKOS037644414AS-53403SY244912DB-371508P16437F534795A1-103345-(Cyclopropylcarbamoyl)-2-methylphenylboronic Acid Pinacol EsterN-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-[1,3,2]-dioxaborolan-2-yl)benzamideN-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzamideN-cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) benzamideN-Cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-benzamideN-Cyclopropyl-4-methyl-3-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)benzamide
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