N-cyclohexyl-2-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide

C21H32BNO4 — CID 176516300

IUPACN-cyclohexyl-2-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
SMILESCOc1cc(B2OC(C)(C)C(C)(C)O2)ccc1CC(=O)NC1CCCCC1
InChIInChI=1S/C21H32BNO4/c1-20(2)21(3,4)27-22(26-20)16-12-11-15(18(14-16)25-5)13-19(24)23-17-9-7-6-8-10-17/h11-12,14,17H,6-10,13H2,1-5H3,(H,23,24)
InChIKeyWIGXTJDPMNJHEG-UHFFFAOYSA-N
MW373.30 g/mol
LogP2.99
Rot. Bonds5

About N-cyclohexyl-2-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide

N-cyclohexyl-2-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide (PubChem CID 176516300) has the molecular formula C21H32BNO4 and a molecular weight of 373.30 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
PubChem CID176516300
Molecular FormulaC21H32BNO4
Molecular Weight373.30 g/mol
Exact Mass373.24
IUPAC NameN-cyclohexyl-2-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
SMILESCOc1cc(B2OC(C)(C)C(C)(C)O2)ccc1CC(=O)NC1CCCCC1
InChIInChI=1S/C21H32BNO4/c1-20(2)21(3,4)27-22(26-20)16-12-11-15(18(14-16)25-5)13-19(24)23-17-9-7-6-8-10-17/h11-12,14,17H,6-10,13H2,1-5H3,(H,23,24)
InChIKeyWIGXTJDPMNJHEG-UHFFFAOYSA-N
XLogP2.99
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.30
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
CID 134812096
N-cyclopentyl-2-(2,4-dimethoxyphenyl)acetamide
CID 17474203
methyl 3-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoate
CID 131483713
[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol
CID 71658284
2-(4-bromo-2-methoxyphenyl)-N-cyclobutylacetamide
CID 155293567
N-cyclopentyl-2-(4-ethenyl-2-methoxyphenyl)acetamide
CID 176516245
2-methoxy-N-[[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]benzamide
CID 140927921
N-cycloheptyl-2-(2,5-dimethoxyphenyl)acetamide
CID 7580886
N-(oxan-4-yl)-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
CID 69351117
N-cyclohexyl-2-(2-methoxy-5-methylphenyl)acetamide
CID 18108630
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
methyl 2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CID 22171502

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide?
The IUPAC name of N-cyclohexyl-2-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide (CID 176516300) is N-cyclohexyl-2-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide is COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1CC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide?
The InChIKey is WIGXTJDPMNJHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32BNO4/c1-20(2)21(3,4)27-22(26-20)16-12-11-15(18(14-16)25-5)13-19(24)23-17-9-7-6-8-10-17/h11-12,14,17H,6-10,13H2,1-5H3,(H,23,24).
What are the key properties of N-cyclohexyl-2-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide?
N-cyclohexyl-2-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide has a molecular weight of 373.30 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide is sourced from PubChem (CID 176516300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).