N-(2,6-dimethoxyphenyl)-5-[5-[ethyl(dimethyl)silyl]-2-methylphenoxy]-3-oxofuran-2-carboxamide

C24H29NO6Si — CID 69368379

IUPACN-(2,6-dimethoxyphenyl)-5-[5-[ethyl(dimethyl)silyl]-2-methylphenoxy]-3-oxofuran-2-carboxamide
SMILESCC[Si](C)(C)c1ccc(C)c(OC2=CC(=O)C(C(=O)Nc3c(OC)cccc3OC)O2)c1
InChIInChI=1S/C24H29NO6Si/c1-7-32(5,6)16-12-11-15(2)20(13-16)30-21-14-17(26)23(31-21)24(27)25-22-18(28-3)9-8-10-19(22)29-4/h8-14,23H,7H2,1-6H3,(H,25,27)
InChIKeyPUZSNVHRIIHWNK-UHFFFAOYSA-N
MW455.58 g/mol
LogP3.77
Rot. Bonds8

About N-(2,6-dimethoxyphenyl)-5-[5-[ethyl(dimethyl)silyl]-2-methylphenoxy]-3-oxofuran-2-carboxamide

N-(2,6-dimethoxyphenyl)-5-[5-[ethyl(dimethyl)silyl]-2-methylphenoxy]-3-oxofuran-2-carboxamide (PubChem CID 69368379) has the molecular formula C24H29NO6Si and a molecular weight of 455.58 g/mol. Its IUPAC name is N-(2,6-dimethoxyphenyl)-5-[5-[ethyl(dimethyl)silyl]-2-methylphenoxy]-3-oxofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethoxyphenyl)-5-[5-[ethyl(dimethyl)silyl]-2-methylphenoxy]-3-oxofuran-2-carboxamide
PubChem CID69368379
Molecular FormulaC24H29NO6Si
Molecular Weight455.58 g/mol
Exact Mass455.18
IUPAC NameN-(2,6-dimethoxyphenyl)-5-[5-[ethyl(dimethyl)silyl]-2-methylphenoxy]-3-oxofuran-2-carboxamide
SMILESCC[Si](C)(C)c1ccc(C)c(OC2=CC(=O)C(C(=O)Nc3c(OC)cccc3OC)O2)c1
InChIInChI=1S/C24H29NO6Si/c1-7-32(5,6)16-12-11-15(2)20(13-16)30-21-14-17(26)23(31-21)24(27)25-22-18(28-3)9-8-10-19(22)29-4/h8-14,23H,7H2,1-6H3,(H,25,27)
InChIKeyPUZSNVHRIIHWNK-UHFFFAOYSA-N
XLogP3.77
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethoxyphenyl)-5-[5-[ethyl(dimethyl)silyl]-2-methylphenoxy]-3-oxofuran-2-carboxamide?
The IUPAC name of N-(2,6-dimethoxyphenyl)-5-[5-[ethyl(dimethyl)silyl]-2-methylphenoxy]-3-oxofuran-2-carboxamide (CID 69368379) is N-(2,6-dimethoxyphenyl)-5-[5-[ethyl(dimethyl)silyl]-2-methylphenoxy]-3-oxofuran-2-carboxamide.
What is the SMILES notation for N-(2,6-dimethoxyphenyl)-5-[5-[ethyl(dimethyl)silyl]-2-methylphenoxy]-3-oxofuran-2-carboxamide?
The canonical SMILES for N-(2,6-dimethoxyphenyl)-5-[5-[ethyl(dimethyl)silyl]-2-methylphenoxy]-3-oxofuran-2-carboxamide is CC[Si](C)(C)c1ccc(C)c(OC2=CC(=O)C(C(=O)Nc3c(OC)cccc3OC)O2)c1.
What is the InChIKey of N-(2,6-dimethoxyphenyl)-5-[5-[ethyl(dimethyl)silyl]-2-methylphenoxy]-3-oxofuran-2-carboxamide?
The InChIKey is PUZSNVHRIIHWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO6Si/c1-7-32(5,6)16-12-11-15(2)20(13-16)30-21-14-17(26)23(31-21)24(27)25-22-18(28-3)9-8-10-19(22)29-4/h8-14,23H,7H2,1-6H3,(H,25,27).
What are the key properties of N-(2,6-dimethoxyphenyl)-5-[5-[ethyl(dimethyl)silyl]-2-methylphenoxy]-3-oxofuran-2-carboxamide?
N-(2,6-dimethoxyphenyl)-5-[5-[ethyl(dimethyl)silyl]-2-methylphenoxy]-3-oxofuran-2-carboxamide has a molecular weight of 455.58 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethoxyphenyl)-5-[5-[ethyl(dimethyl)silyl]-2-methylphenoxy]-3-oxofuran-2-carboxamide is sourced from PubChem (CID 69368379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).