3-oxo-N-(2,4,6-trimethoxyphenyl)-5-[(4,4,7-trimethyl-2,3-dihydro-1,4-benzoxasilin-6-yl)oxy]furan-2-carboxamide

C25H29NO8Si — CID 69401601

IUPAC3-oxo-N-(2,4,6-trimethoxyphenyl)-5-[(4,4,7-trimethyl-2,3-dihydro-1,4-benzoxasilin-6-yl)oxy]furan-2-carboxamide
SMILESCOc1cc(OC)c(NC(=O)C2OC(Oc3cc4c(cc3C)OCC[Si]4(C)C)=CC2=O)c(OC)c1
InChIInChI=1S/C25H29NO8Si/c1-14-9-18-21(35(5,6)8-7-32-18)13-17(14)33-22-12-16(27)24(34-22)25(28)26-23-19(30-3)10-15(29-2)11-20(23)31-4/h9-13,24H,7-8H2,1-6H3,(H,26,28)
InChIKeyYQIOIIODXNRGKK-UHFFFAOYSA-N
MW499.59 g/mol
LogP3.16
Rot. Bonds7

About 3-oxo-N-(2,4,6-trimethoxyphenyl)-5-[(4,4,7-trimethyl-2,3-dihydro-1,4-benzoxasilin-6-yl)oxy]furan-2-carboxamide

3-oxo-N-(2,4,6-trimethoxyphenyl)-5-[(4,4,7-trimethyl-2,3-dihydro-1,4-benzoxasilin-6-yl)oxy]furan-2-carboxamide (PubChem CID 69401601) has the molecular formula C25H29NO8Si and a molecular weight of 499.59 g/mol. Its IUPAC name is 3-oxo-N-(2,4,6-trimethoxyphenyl)-5-[(4,4,7-trimethyl-2,3-dihydro-1,4-benzoxasilin-6-yl)oxy]furan-2-carboxamide.

Molecular Properties

Compound Name3-oxo-N-(2,4,6-trimethoxyphenyl)-5-[(4,4,7-trimethyl-2,3-dihydro-1,4-benzoxasilin-6-yl)oxy]furan-2-carboxamide
PubChem CID69401601
Molecular FormulaC25H29NO8Si
Molecular Weight499.59 g/mol
Exact Mass499.17
IUPAC Name3-oxo-N-(2,4,6-trimethoxyphenyl)-5-[(4,4,7-trimethyl-2,3-dihydro-1,4-benzoxasilin-6-yl)oxy]furan-2-carboxamide
SMILESCOc1cc(OC)c(NC(=O)C2OC(Oc3cc4c(cc3C)OCC[Si]4(C)C)=CC2=O)c(OC)c1
InChIInChI=1S/C25H29NO8Si/c1-14-9-18-21(35(5,6)8-7-32-18)13-17(14)33-22-12-16(27)24(34-22)25(28)26-23-19(30-3)10-15(29-2)11-20(23)31-4/h9-13,24H,7-8H2,1-6H3,(H,26,28)
InChIKeyYQIOIIODXNRGKK-UHFFFAOYSA-N
XLogP3.16
TPSA101.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.59
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 3-oxo-N-(2,4,6-trimethoxyphenyl)-5-[(4,4,7-trimethyl-2,3-dihydro-1,4-benzoxasilin-6-yl)oxy]furan-2-carboxamide?
The IUPAC name of 3-oxo-N-(2,4,6-trimethoxyphenyl)-5-[(4,4,7-trimethyl-2,3-dihydro-1,4-benzoxasilin-6-yl)oxy]furan-2-carboxamide (CID 69401601) is 3-oxo-N-(2,4,6-trimethoxyphenyl)-5-[(4,4,7-trimethyl-2,3-dihydro-1,4-benzoxasilin-6-yl)oxy]furan-2-carboxamide.
What is the SMILES notation for 3-oxo-N-(2,4,6-trimethoxyphenyl)-5-[(4,4,7-trimethyl-2,3-dihydro-1,4-benzoxasilin-6-yl)oxy]furan-2-carboxamide?
The canonical SMILES for 3-oxo-N-(2,4,6-trimethoxyphenyl)-5-[(4,4,7-trimethyl-2,3-dihydro-1,4-benzoxasilin-6-yl)oxy]furan-2-carboxamide is COc1cc(OC)c(NC(=O)C2OC(Oc3cc4c(cc3C)OCC[Si]4(C)C)=CC2=O)c(OC)c1.
What is the InChIKey of 3-oxo-N-(2,4,6-trimethoxyphenyl)-5-[(4,4,7-trimethyl-2,3-dihydro-1,4-benzoxasilin-6-yl)oxy]furan-2-carboxamide?
The InChIKey is YQIOIIODXNRGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO8Si/c1-14-9-18-21(35(5,6)8-7-32-18)13-17(14)33-22-12-16(27)24(34-22)25(28)26-23-19(30-3)10-15(29-2)11-20(23)31-4/h9-13,24H,7-8H2,1-6H3,(H,26,28).
What are the key properties of 3-oxo-N-(2,4,6-trimethoxyphenyl)-5-[(4,4,7-trimethyl-2,3-dihydro-1,4-benzoxasilin-6-yl)oxy]furan-2-carboxamide?
3-oxo-N-(2,4,6-trimethoxyphenyl)-5-[(4,4,7-trimethyl-2,3-dihydro-1,4-benzoxasilin-6-yl)oxy]furan-2-carboxamide has a molecular weight of 499.59 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(2,4,6-trimethoxyphenyl)-5-[(4,4,7-trimethyl-2,3-dihydro-1,4-benzoxasilin-6-yl)oxy]furan-2-carboxamide is sourced from PubChem (CID 69401601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).