5-[4-[2,2-dimethylpropyl(dimethyl)silyl]-2-methylphenoxy]-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide

C28H37NO6Si — CID 11260771

IUPAC5-[4-[2,2-dimethylpropyl(dimethyl)silyl]-2-methylphenoxy]-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide
SMILESCOc1cc(OC)c(NC(=O)c2ccc(Oc3ccc([Si](C)(C)CC(C)(C)C)cc3C)o2)c(OC)c1
InChIInChI=1S/C28H37NO6Si/c1-18-14-20(36(8,9)17-28(2,3)4)10-11-21(18)34-25-13-12-22(35-25)27(30)29-26-23(32-6)15-19(31-5)16-24(26)33-7/h10-16H,17H2,1-9H3,(H,29,30)
InChIKeyIGDXDASHFJSCDK-UHFFFAOYSA-N
MW511.69 g/mol
LogP6.62
Rot. Bonds9

About 5-[4-[2,2-dimethylpropyl(dimethyl)silyl]-2-methylphenoxy]-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide

5-[4-[2,2-dimethylpropyl(dimethyl)silyl]-2-methylphenoxy]-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide (PubChem CID 11260771) has the molecular formula C28H37NO6Si and a molecular weight of 511.69 g/mol. Its IUPAC name is 5-[4-[2,2-dimethylpropyl(dimethyl)silyl]-2-methylphenoxy]-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[4-[2,2-dimethylpropyl(dimethyl)silyl]-2-methylphenoxy]-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide
PubChem CID11260771
Molecular FormulaC28H37NO6Si
Molecular Weight511.69 g/mol
Exact Mass511.24
IUPAC Name5-[4-[2,2-dimethylpropyl(dimethyl)silyl]-2-methylphenoxy]-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide
SMILESCOc1cc(OC)c(NC(=O)c2ccc(Oc3ccc([Si](C)(C)CC(C)(C)C)cc3C)o2)c(OC)c1
InChIInChI=1S/C28H37NO6Si/c1-18-14-20(36(8,9)17-28(2,3)4)10-11-21(18)34-25-13-12-22(35-25)27(30)29-26-23(32-6)15-19(31-5)16-24(26)33-7/h10-16H,17H2,1-9H3,(H,29,30)
InChIKeyIGDXDASHFJSCDK-UHFFFAOYSA-N
XLogP6.62
TPSA79.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.69
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2,2-dimethylpropyl(dimethyl)silyl]-2-methylphenoxy]-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide?
The IUPAC name of 5-[4-[2,2-dimethylpropyl(dimethyl)silyl]-2-methylphenoxy]-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide (CID 11260771) is 5-[4-[2,2-dimethylpropyl(dimethyl)silyl]-2-methylphenoxy]-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[4-[2,2-dimethylpropyl(dimethyl)silyl]-2-methylphenoxy]-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide?
The canonical SMILES for 5-[4-[2,2-dimethylpropyl(dimethyl)silyl]-2-methylphenoxy]-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide is COc1cc(OC)c(NC(=O)c2ccc(Oc3ccc([Si](C)(C)CC(C)(C)C)cc3C)o2)c(OC)c1.
What is the InChIKey of 5-[4-[2,2-dimethylpropyl(dimethyl)silyl]-2-methylphenoxy]-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide?
The InChIKey is IGDXDASHFJSCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37NO6Si/c1-18-14-20(36(8,9)17-28(2,3)4)10-11-21(18)34-25-13-12-22(35-25)27(30)29-26-23(32-6)15-19(31-5)16-24(26)33-7/h10-16H,17H2,1-9H3,(H,29,30).
What are the key properties of 5-[4-[2,2-dimethylpropyl(dimethyl)silyl]-2-methylphenoxy]-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide?
5-[4-[2,2-dimethylpropyl(dimethyl)silyl]-2-methylphenoxy]-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide has a molecular weight of 511.69 g/mol, XLogP of 6.62, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2,2-dimethylpropyl(dimethyl)silyl]-2-methylphenoxy]-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 11260771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).