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

C25H29NO6Si — CID 58877586

IUPACN-(2,4,6-trimethoxyphenyl)-5-[(1,1,6-trimethyl-2,3-dihydro-1-benzosilol-5-yl)oxy]furan-2-carboxamide
SMILESCOc1cc(OC)c(NC(=O)c2ccc(Oc3cc4c(cc3C)[Si](C)(C)CC4)o2)c(OC)c1
InChIInChI=1S/C25H29NO6Si/c1-15-11-22-16(9-10-33(22,5)6)12-19(15)32-23-8-7-18(31-23)25(27)26-24-20(29-3)13-17(28-2)14-21(24)30-4/h7-8,11-14H,9-10H2,1-6H3,(H,26,27)
InChIKeyPMBLHQBPKGAZET-UHFFFAOYSA-N
MW467.59 g/mol
LogP5.13
Rot. Bonds7

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

N-(2,4,6-trimethoxyphenyl)-5-[(1,1,6-trimethyl-2,3-dihydro-1-benzosilol-5-yl)oxy]furan-2-carboxamide (PubChem CID 58877586) has the molecular formula C25H29NO6Si and a molecular weight of 467.59 g/mol. Its IUPAC name is N-(2,4,6-trimethoxyphenyl)-5-[(1,1,6-trimethyl-2,3-dihydro-1-benzosilol-5-yl)oxy]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2,4,6-trimethoxyphenyl)-5-[(1,1,6-trimethyl-2,3-dihydro-1-benzosilol-5-yl)oxy]furan-2-carboxamide
PubChem CID58877586
Molecular FormulaC25H29NO6Si
Molecular Weight467.59 g/mol
Exact Mass467.18
IUPAC NameN-(2,4,6-trimethoxyphenyl)-5-[(1,1,6-trimethyl-2,3-dihydro-1-benzosilol-5-yl)oxy]furan-2-carboxamide
SMILESCOc1cc(OC)c(NC(=O)c2ccc(Oc3cc4c(cc3C)[Si](C)(C)CC4)o2)c(OC)c1
InChIInChI=1S/C25H29NO6Si/c1-15-11-22-16(9-10-33(22,5)6)12-19(15)32-23-8-7-18(31-23)25(27)26-24-20(29-3)13-17(28-2)14-21(24)30-4/h7-8,11-14H,9-10H2,1-6H3,(H,26,27)
InChIKeyPMBLHQBPKGAZET-UHFFFAOYSA-N
XLogP5.13
TPSA79.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.59
LogP ≤ 55.13
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 N-(2,4,6-trimethoxyphenyl)-5-[(1,1,6-trimethyl-2,3-dihydro-1-benzosilol-5-yl)oxy]furan-2-carboxamide?
The IUPAC name of N-(2,4,6-trimethoxyphenyl)-5-[(1,1,6-trimethyl-2,3-dihydro-1-benzosilol-5-yl)oxy]furan-2-carboxamide (CID 58877586) is N-(2,4,6-trimethoxyphenyl)-5-[(1,1,6-trimethyl-2,3-dihydro-1-benzosilol-5-yl)oxy]furan-2-carboxamide.
What is the SMILES notation for N-(2,4,6-trimethoxyphenyl)-5-[(1,1,6-trimethyl-2,3-dihydro-1-benzosilol-5-yl)oxy]furan-2-carboxamide?
The canonical SMILES for N-(2,4,6-trimethoxyphenyl)-5-[(1,1,6-trimethyl-2,3-dihydro-1-benzosilol-5-yl)oxy]furan-2-carboxamide is COc1cc(OC)c(NC(=O)c2ccc(Oc3cc4c(cc3C)[Si](C)(C)CC4)o2)c(OC)c1.
What is the InChIKey of N-(2,4,6-trimethoxyphenyl)-5-[(1,1,6-trimethyl-2,3-dihydro-1-benzosilol-5-yl)oxy]furan-2-carboxamide?
The InChIKey is PMBLHQBPKGAZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO6Si/c1-15-11-22-16(9-10-33(22,5)6)12-19(15)32-23-8-7-18(31-23)25(27)26-24-20(29-3)13-17(28-2)14-21(24)30-4/h7-8,11-14H,9-10H2,1-6H3,(H,26,27).
What are the key properties of N-(2,4,6-trimethoxyphenyl)-5-[(1,1,6-trimethyl-2,3-dihydro-1-benzosilol-5-yl)oxy]furan-2-carboxamide?
N-(2,4,6-trimethoxyphenyl)-5-[(1,1,6-trimethyl-2,3-dihydro-1-benzosilol-5-yl)oxy]furan-2-carboxamide has a molecular weight of 467.59 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,6-trimethoxyphenyl)-5-[(1,1,6-trimethyl-2,3-dihydro-1-benzosilol-5-yl)oxy]furan-2-carboxamide is sourced from PubChem (CID 58877586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).