3,4-dimethoxy-N-(2,4,4-trimethylpentan-2-yl)-2-(2-trimethylsilylethoxy)benzamide

C22H39NO4Si — CID 156624508

IUPAC3,4-dimethoxy-N-(2,4,4-trimethylpentan-2-yl)-2-(2-trimethylsilylethoxy)benzamide
SMILESCOc1ccc(C(=O)NC(C)(C)CC(C)(C)C)c(OCC[Si](C)(C)C)c1OC
InChIInChI=1S/C22H39NO4Si/c1-21(2,3)15-22(4,5)23-20(24)16-11-12-17(25-6)19(26-7)18(16)27-13-14-28(8,9)10/h11-12H,13-15H2,1-10H3,(H,23,24)
InChIKeyIQMYQKZRXDASFV-UHFFFAOYSA-N
MW409.64 g/mol
LogP5.37
Rot. Bonds9

About 3,4-dimethoxy-N-(2,4,4-trimethylpentan-2-yl)-2-(2-trimethylsilylethoxy)benzamide

3,4-dimethoxy-N-(2,4,4-trimethylpentan-2-yl)-2-(2-trimethylsilylethoxy)benzamide (PubChem CID 156624508) has the molecular formula C22H39NO4Si and a molecular weight of 409.64 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(2,4,4-trimethylpentan-2-yl)-2-(2-trimethylsilylethoxy)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(2,4,4-trimethylpentan-2-yl)-2-(2-trimethylsilylethoxy)benzamide
PubChem CID156624508
Molecular FormulaC22H39NO4Si
Molecular Weight409.64 g/mol
Exact Mass409.26
IUPAC Name3,4-dimethoxy-N-(2,4,4-trimethylpentan-2-yl)-2-(2-trimethylsilylethoxy)benzamide
SMILESCOc1ccc(C(=O)NC(C)(C)CC(C)(C)C)c(OCC[Si](C)(C)C)c1OC
InChIInChI=1S/C22H39NO4Si/c1-21(2,3)15-22(4,5)23-20(24)16-11-12-17(25-6)19(26-7)18(16)27-13-14-28(8,9)10/h11-12H,13-15H2,1-10H3,(H,23,24)
InChIKeyIQMYQKZRXDASFV-UHFFFAOYSA-N
XLogP5.37
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.64
LogP ≤ 55.37
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

5-bromo-3,4-dimethoxy-N-(2,4,4-trimethylpentan-2-yl)-2-(2-trimethylsilylethoxy)benzamide
CID 156624517
3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-(2,4,4-trimethylpentan-2-yl)-2-(2-trimethylsilylethoxy)benzamide
CID 155630738
4-bromo-2-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 115369210
2-hydroxy-3-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 60724227
2-hydroxy-3-methoxybenzoic acid;2-hydroxy-3-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide;3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-(2,4,4-trimethylpentan-2-yl)-2-(2-trimethylsilylethoxy)benzamide;3-methoxy-N-(2,4,4-trimethylpentan-2-yl)-2-(2-trimethylsilylethoxy)benzamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;2,4,4-trimethylpentan-2-amine;2-trimethylsilylethanol
CID 162248764
N-[(2S)-2-hydroxypropyl]-2,3,4-trimethoxybenzamide
CID 83030336
3,4-dimethoxy-2-(2-sulfanylethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 174116304
ethyl 2-[(2,3,4-trimethoxybenzoyl)amino]acetate
CID 60816133
5-bromo-3-chloro-4-methoxy-2-[2-(trimethyl-λ4-sulfanyl)ethoxy]-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 170224787
2,3,4-trimethoxy-N-prop-2-enylbenzamide
CID 7971428
2-methyl-2-phenyl-3-[(2,3,4-trimethoxybenzoyl)amino]propanoic acid
CID 120700996
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,3,4-trimethoxybenzamide
CID 90523042

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(2,4,4-trimethylpentan-2-yl)-2-(2-trimethylsilylethoxy)benzamide?
The IUPAC name of 3,4-dimethoxy-N-(2,4,4-trimethylpentan-2-yl)-2-(2-trimethylsilylethoxy)benzamide (CID 156624508) is 3,4-dimethoxy-N-(2,4,4-trimethylpentan-2-yl)-2-(2-trimethylsilylethoxy)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(2,4,4-trimethylpentan-2-yl)-2-(2-trimethylsilylethoxy)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(2,4,4-trimethylpentan-2-yl)-2-(2-trimethylsilylethoxy)benzamide is COc1ccc(C(=O)NC(C)(C)CC(C)(C)C)c(OCC[Si](C)(C)C)c1OC.
What is the InChIKey of 3,4-dimethoxy-N-(2,4,4-trimethylpentan-2-yl)-2-(2-trimethylsilylethoxy)benzamide?
The InChIKey is IQMYQKZRXDASFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39NO4Si/c1-21(2,3)15-22(4,5)23-20(24)16-11-12-17(25-6)19(26-7)18(16)27-13-14-28(8,9)10/h11-12H,13-15H2,1-10H3,(H,23,24).
What are the key properties of 3,4-dimethoxy-N-(2,4,4-trimethylpentan-2-yl)-2-(2-trimethylsilylethoxy)benzamide?
3,4-dimethoxy-N-(2,4,4-trimethylpentan-2-yl)-2-(2-trimethylsilylethoxy)benzamide has a molecular weight of 409.64 g/mol, XLogP of 5.37, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(2,4,4-trimethylpentan-2-yl)-2-(2-trimethylsilylethoxy)benzamide is sourced from PubChem (CID 156624508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).