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

C20H30BNO3 — CID 90017747

IUPACN-cyclohexyl-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
SMILESCN(C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)C1CCCCC1
InChIInChI=1S/C20H30BNO3/c1-19(2)20(3,4)25-21(24-19)16-11-9-10-15(14-16)18(23)22(5)17-12-7-6-8-13-17/h9-11,14,17H,6-8,12-13H2,1-5H3
InChIKeyJTFKMRBXDCINIK-UHFFFAOYSA-N
MW343.28 g/mol
LogP3.39
Rot. Bonds3

About N-cyclohexyl-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

N-cyclohexyl-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide (PubChem CID 90017747) has the molecular formula C20H30BNO3 and a molecular weight of 343.28 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
PubChem CID90017747
Molecular FormulaC20H30BNO3
Molecular Weight343.28 g/mol
Exact Mass343.23
IUPAC NameN-cyclohexyl-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
SMILESCN(C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)C1CCCCC1
InChIInChI=1S/C20H30BNO3/c1-19(2)20(3,4)25-21(24-19)16-11-9-10-15(14-16)18(23)22(5)17-12-7-6-8-13-17/h9-11,14,17H,6-8,12-13H2,1-5H3
InChIKeyJTFKMRBXDCINIK-UHFFFAOYSA-N
XLogP3.39
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.28
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze N-cyclohexyl-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-cyclohexyl-N-methylbenzamide
CID 19166286
3-bromo-N-cyclopentyl-N-methylbenzamide
CID 43213208
N-cyclopentyl-3-hydroxy-N-methylbenzamide
CID 43243153
N-methyl-N-(1-methylpiperidin-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 123492991
N-cyclopropyl-3-fluoro-N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 176730240
N-cyclohexyl-3-ethyl-N-methylbenzamide
CID 70929086
[(3R)-3-methylpyrrolidin-1-yl]-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
CID 171430476
3-(chloromethyl)-N-cyclohexyl-N-methylbenzamide
CID 10611761
(2-methylpyrrolidin-1-yl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
CID 176730909
[(2R)-2-methylpyrrolidin-1-yl]-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
CID 176730911
N-methyl-N-[1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidin-3-yl]acetamide
CID 170516875
3-[cyclohexyl(methyl)carbamoyl]benzenesulfonyl chloride
CID 110823497

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?
The IUPAC name of N-cyclohexyl-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide (CID 90017747) is N-cyclohexyl-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?
The canonical SMILES for N-cyclohexyl-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide is CN(C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?
The InChIKey is JTFKMRBXDCINIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30BNO3/c1-19(2)20(3,4)25-21(24-19)16-11-9-10-15(14-16)18(23)22(5)17-12-7-6-8-13-17/h9-11,14,17H,6-8,12-13H2,1-5H3.
What are the key properties of N-cyclohexyl-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?
N-cyclohexyl-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide has a molecular weight of 343.28 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide is sourced from PubChem (CID 90017747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).