3-[[2-(3-methoxyphenoxy)acetyl]amino]-N-(3-methoxyphenyl)-1-benzofuran-2-carboxamide

C25H22N2O6 — CID 20875154

IUPAC3-[[2-(3-methoxyphenoxy)acetyl]amino]-N-(3-methoxyphenyl)-1-benzofuran-2-carboxamide
SMILESCOc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)COc2cccc(OC)c2)c1
InChIInChI=1S/C25H22N2O6/c1-30-17-8-5-7-16(13-17)26-25(29)24-23(20-11-3-4-12-21(20)33-24)27-22(28)15-32-19-10-6-9-18(14-19)31-2/h3-14H,15H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyGCKLQTYIXSKTPQ-UHFFFAOYSA-N
MW446.46 g/mol
LogP4.72
Rot. Bonds8

About 3-[[2-(3-methoxyphenoxy)acetyl]amino]-N-(3-methoxyphenyl)-1-benzofuran-2-carboxamide

3-[[2-(3-methoxyphenoxy)acetyl]amino]-N-(3-methoxyphenyl)-1-benzofuran-2-carboxamide (PubChem CID 20875154) has the molecular formula C25H22N2O6 and a molecular weight of 446.46 g/mol. Its IUPAC name is 3-[[2-(3-methoxyphenoxy)acetyl]amino]-N-(3-methoxyphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[[2-(3-methoxyphenoxy)acetyl]amino]-N-(3-methoxyphenyl)-1-benzofuran-2-carboxamide
PubChem CID20875154
Molecular FormulaC25H22N2O6
Molecular Weight446.46 g/mol
Exact Mass446.15
IUPAC Name3-[[2-(3-methoxyphenoxy)acetyl]amino]-N-(3-methoxyphenyl)-1-benzofuran-2-carboxamide
SMILESCOc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)COc2cccc(OC)c2)c1
InChIInChI=1S/C25H22N2O6/c1-30-17-8-5-7-16(13-17)26-25(29)24-23(20-11-3-4-12-21(20)33-24)27-22(28)15-32-19-10-6-9-18(14-19)31-2/h3-14H,15H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyGCKLQTYIXSKTPQ-UHFFFAOYSA-N
XLogP4.72
TPSA99.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-fluorophenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide
CID 20875272
N-(3-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 6622692
N-(4-methoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16814466
N-(2,4-dimethoxyphenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 20875443
N-(3,4-difluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16817822
N-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]-1-benzofuran-2-carboxamide
CID 20875391
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
N-[2-[(3-methoxyphenyl)carbamoyl]-1-benzofuran-3-yl]-2-oxochromene-3-carboxamide
CID 16814409
N-(3-fluorophenyl)-3-[(3-methoxybenzoyl)amino]-1-benzofuran-2-carboxamide
CID 20875257
N-(2-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 7152285
N-(4-methoxyphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide
CID 7116970
2-(3-ethoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 112977809

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-methoxyphenoxy)acetyl]amino]-N-(3-methoxyphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[[2-(3-methoxyphenoxy)acetyl]amino]-N-(3-methoxyphenyl)-1-benzofuran-2-carboxamide (CID 20875154) is 3-[[2-(3-methoxyphenoxy)acetyl]amino]-N-(3-methoxyphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[[2-(3-methoxyphenoxy)acetyl]amino]-N-(3-methoxyphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[[2-(3-methoxyphenoxy)acetyl]amino]-N-(3-methoxyphenyl)-1-benzofuran-2-carboxamide is COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)COc2cccc(OC)c2)c1.
What is the InChIKey of 3-[[2-(3-methoxyphenoxy)acetyl]amino]-N-(3-methoxyphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is GCKLQTYIXSKTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O6/c1-30-17-8-5-7-16(13-17)26-25(29)24-23(20-11-3-4-12-21(20)33-24)27-22(28)15-32-19-10-6-9-18(14-19)31-2/h3-14H,15H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of 3-[[2-(3-methoxyphenoxy)acetyl]amino]-N-(3-methoxyphenyl)-1-benzofuran-2-carboxamide?
3-[[2-(3-methoxyphenoxy)acetyl]amino]-N-(3-methoxyphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 446.46 g/mol, XLogP of 4.72, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-methoxyphenoxy)acetyl]amino]-N-(3-methoxyphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 20875154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).