[2-(2-cyanoanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate

C20H16N2O5 — CID 2126246

IUPAC[2-(2-cyanoanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
SMILESCOc1ccc2c(CC(=O)OCC(=O)Nc3ccccc3C#N)coc2c1
InChIInChI=1S/C20H16N2O5/c1-25-15-6-7-16-14(11-26-18(16)9-15)8-20(24)27-12-19(23)22-17-5-3-2-4-13(17)10-21/h2-7,9,11H,8,12H2,1H3,(H,22,23)
InChIKeyZPHPJKHASBAOMB-UHFFFAOYSA-N
MW364.36 g/mol
LogP3.04
Rot. Bonds6

About [2-(2-cyanoanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate

[2-(2-cyanoanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate (PubChem CID 2126246) has the molecular formula C20H16N2O5 and a molecular weight of 364.36 g/mol. Its IUPAC name is [2-(2-cyanoanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name[2-(2-cyanoanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
PubChem CID2126246
Molecular FormulaC20H16N2O5
Molecular Weight364.36 g/mol
Exact Mass364.11
IUPAC Name[2-(2-cyanoanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
SMILESCOc1ccc2c(CC(=O)OCC(=O)Nc3ccccc3C#N)coc2c1
InChIInChI=1S/C20H16N2O5/c1-25-15-6-7-16-14(11-26-18(16)9-15)8-20(24)27-12-19(23)22-17-5-3-2-4-13(17)10-21/h2-7,9,11H,8,12H2,1H3,(H,22,23)
InChIKeyZPHPJKHASBAOMB-UHFFFAOYSA-N
XLogP3.04
TPSA101.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(2-cyanoanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate with MolForge

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Related Compounds

[2-(2-cyanoanilino)-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8525492
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7902197
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2128721
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2538727
2-oxopropyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 55327046
[2-(tert-butylamino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2538621
[2-(3,4-dichloroanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 4857170
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2538741
[2-oxo-2-(3-sulfamoylanilino)ethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 4841640
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 4210410
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7902191
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7901969

Frequently Asked Questions

What is the IUPAC name of [2-(2-cyanoanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The IUPAC name of [2-(2-cyanoanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate (CID 2126246) is [2-(2-cyanoanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate.
What is the SMILES notation for [2-(2-cyanoanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The canonical SMILES for [2-(2-cyanoanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate is COc1ccc2c(CC(=O)OCC(=O)Nc3ccccc3C#N)coc2c1.
What is the InChIKey of [2-(2-cyanoanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The InChIKey is ZPHPJKHASBAOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O5/c1-25-15-6-7-16-14(11-26-18(16)9-15)8-20(24)27-12-19(23)22-17-5-3-2-4-13(17)10-21/h2-7,9,11H,8,12H2,1H3,(H,22,23).
What are the key properties of [2-(2-cyanoanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
[2-(2-cyanoanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate has a molecular weight of 364.36 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-cyanoanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 2126246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).