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

C27H35NO6Si — CID 69369586

IUPACN-(2,6-dimethoxyphenyl)-5-[5-[2,2-dimethylpropyl(dimethyl)silyl]-2-methylphenoxy]-3-oxofuran-2-carboxamide
SMILESCOc1cccc(OC)c1NC(=O)C1OC(Oc2cc([Si](C)(C)CC(C)(C)C)ccc2C)=CC1=O
InChIInChI=1S/C27H35NO6Si/c1-17-12-13-18(35(7,8)16-27(2,3)4)14-22(17)33-23-15-19(29)25(34-23)26(30)28-24-20(31-5)10-9-11-21(24)32-6/h9-15,25H,16H2,1-8H3,(H,28,30)
InChIKeyUHJXAPDUJUSSKP-UHFFFAOYSA-N
MW497.66 g/mol
LogP4.80
Rot. Bonds8

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

N-(2,6-dimethoxyphenyl)-5-[5-[2,2-dimethylpropyl(dimethyl)silyl]-2-methylphenoxy]-3-oxofuran-2-carboxamide (PubChem CID 69369586) has the molecular formula C27H35NO6Si and a molecular weight of 497.66 g/mol. Its IUPAC name is N-(2,6-dimethoxyphenyl)-5-[5-[2,2-dimethylpropyl(dimethyl)silyl]-2-methylphenoxy]-3-oxofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethoxyphenyl)-5-[5-[2,2-dimethylpropyl(dimethyl)silyl]-2-methylphenoxy]-3-oxofuran-2-carboxamide
PubChem CID69369586
Molecular FormulaC27H35NO6Si
Molecular Weight497.66 g/mol
Exact Mass497.22
IUPAC NameN-(2,6-dimethoxyphenyl)-5-[5-[2,2-dimethylpropyl(dimethyl)silyl]-2-methylphenoxy]-3-oxofuran-2-carboxamide
SMILESCOc1cccc(OC)c1NC(=O)C1OC(Oc2cc([Si](C)(C)CC(C)(C)C)ccc2C)=CC1=O
InChIInChI=1S/C27H35NO6Si/c1-17-12-13-18(35(7,8)16-27(2,3)4)14-22(17)33-23-15-19(29)25(34-23)26(30)28-24-20(31-5)10-9-11-21(24)32-6/h9-15,25H,16H2,1-8H3,(H,28,30)
InChIKeyUHJXAPDUJUSSKP-UHFFFAOYSA-N
XLogP4.80
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.66
LogP ≤ 54.80
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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Related Compounds

N-(2,6-dimethoxyphenyl)-5-[5-[ethyl(dimethyl)silyl]-2-methylphenoxy]-3-oxofuran-2-carboxamide
CID 69368379
5-(2-methoxy-5-trimethylsilylphenoxy)-3-oxo-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide
CID 69371762
N-[2-[ethyl-[2-(propan-2-ylamino)ethyl]amino]-4,6-dimethoxypyrimidin-5-yl]-5-(2-methyl-5-trimethylsilylphenoxy)-3-oxofuran-2-carboxamide
CID 69131107
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
5-[4-[2,2-dimethylpropyl(dimethyl)silyl]-2-methylphenoxy]-N-(2,4,6-trimethoxyphenyl)furan-2-carboxamide
CID 11260771
1-tert-butyl-3-(2,6-dimethoxyphenyl)urea
CID 108867821
2-chloro-N-(2,6-dimethoxyphenyl)acetamide
CID 20570575
1-(2,6-dimethoxyphenyl)-3-(4-methylphenyl)urea
CID 108867766
N-[(2,6-dimethoxyphenyl)carbamoyl]piperidine-4-carboxamide
CID 108868039
1-(2,6-difluorophenyl)-3-(2,6-dimethoxyphenyl)urea
CID 108867921
1-(2,6-dimethoxyphenyl)-3-(2-methoxyethyl)urea
CID 108867809
1-(2,6-dimethoxyphenyl)-3-(2-hydroxypropyl)urea
CID 108867914

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethoxyphenyl)-5-[5-[2,2-dimethylpropyl(dimethyl)silyl]-2-methylphenoxy]-3-oxofuran-2-carboxamide?
The IUPAC name of N-(2,6-dimethoxyphenyl)-5-[5-[2,2-dimethylpropyl(dimethyl)silyl]-2-methylphenoxy]-3-oxofuran-2-carboxamide (CID 69369586) is N-(2,6-dimethoxyphenyl)-5-[5-[2,2-dimethylpropyl(dimethyl)silyl]-2-methylphenoxy]-3-oxofuran-2-carboxamide.
What is the SMILES notation for N-(2,6-dimethoxyphenyl)-5-[5-[2,2-dimethylpropyl(dimethyl)silyl]-2-methylphenoxy]-3-oxofuran-2-carboxamide?
The canonical SMILES for N-(2,6-dimethoxyphenyl)-5-[5-[2,2-dimethylpropyl(dimethyl)silyl]-2-methylphenoxy]-3-oxofuran-2-carboxamide is COc1cccc(OC)c1NC(=O)C1OC(Oc2cc([Si](C)(C)CC(C)(C)C)ccc2C)=CC1=O.
What is the InChIKey of N-(2,6-dimethoxyphenyl)-5-[5-[2,2-dimethylpropyl(dimethyl)silyl]-2-methylphenoxy]-3-oxofuran-2-carboxamide?
The InChIKey is UHJXAPDUJUSSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35NO6Si/c1-17-12-13-18(35(7,8)16-27(2,3)4)14-22(17)33-23-15-19(29)25(34-23)26(30)28-24-20(31-5)10-9-11-21(24)32-6/h9-15,25H,16H2,1-8H3,(H,28,30).
What are the key properties of N-(2,6-dimethoxyphenyl)-5-[5-[2,2-dimethylpropyl(dimethyl)silyl]-2-methylphenoxy]-3-oxofuran-2-carboxamide?
N-(2,6-dimethoxyphenyl)-5-[5-[2,2-dimethylpropyl(dimethyl)silyl]-2-methylphenoxy]-3-oxofuran-2-carboxamide has a molecular weight of 497.66 g/mol, XLogP of 4.80, 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-[2,2-dimethylpropyl(dimethyl)silyl]-2-methylphenoxy]-3-oxofuran-2-carboxamide is sourced from PubChem (CID 69369586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).