N-(2,4-dimethoxyphenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide

C26H24N2O6 — CID 20875443

IUPACN-(2,4-dimethoxyphenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)COc2cccc(C)c2)c(OC)c1
InChIInChI=1S/C26H24N2O6/c1-16-7-6-8-18(13-16)33-15-23(29)28-24-19-9-4-5-10-21(19)34-25(24)26(30)27-20-12-11-17(31-2)14-22(20)32-3/h4-14H,15H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyKPTOGZNXGNFEPJ-UHFFFAOYSA-N
MW460.49 g/mol
LogP5.03
Rot. Bonds8

About N-(2,4-dimethoxyphenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide

N-(2,4-dimethoxyphenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide (PubChem CID 20875443) has the molecular formula C26H24N2O6 and a molecular weight of 460.49 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
PubChem CID20875443
Molecular FormulaC26H24N2O6
Molecular Weight460.49 g/mol
Exact Mass460.16
IUPAC NameN-(2,4-dimethoxyphenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)COc2cccc(C)c2)c(OC)c1
InChIInChI=1S/C26H24N2O6/c1-16-7-6-8-18(13-16)33-15-23(29)28-24-19-9-4-5-10-21(19)34-25(24)26(30)27-20-12-11-17(31-2)14-22(20)32-3/h4-14H,15H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyKPTOGZNXGNFEPJ-UHFFFAOYSA-N
XLogP5.03
TPSA99.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.49
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 7152285
3-[[2-(3-methoxyphenoxy)acetyl]amino]-N-(3-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875154
N-(2,4-dimethoxyphenyl)-3-(3-phenylpropanoylamino)-1-benzofuran-2-carboxamide
CID 16814944
3-[(2-cyclopentylacetyl)amino]-N-(2,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 7160217
N-(3-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 6622692
N-(3,4-difluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16817822
N-(4-methoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16814466
N-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide
CID 20875391
N-(2,4-dimethoxyphenyl)-2-methyl-1-benzofuran-3-carboxamide
CID 110703181
3-[[2-(4-fluorophenoxy)acetyl]amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
CID 20875244
3-(methoxymethyl)-N'-[2-(3-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide
CID 51146445
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-(3-methylphenoxy)propanoate
CID 2600352

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide (CID 20875443) is N-(2,4-dimethoxyphenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide is COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)COc2cccc(C)c2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide?
The InChIKey is KPTOGZNXGNFEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O6/c1-16-7-6-8-18(13-16)33-15-23(29)28-24-19-9-4-5-10-21(19)34-25(24)26(30)27-20-12-11-17(31-2)14-22(20)32-3/h4-14H,15H2,1-3H3,(H,27,30)(H,28,29).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide?
N-(2,4-dimethoxyphenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide has a molecular weight of 460.49 g/mol, XLogP of 5.03, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 20875443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).