[2-(4-methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate

C20H19NO5 — CID 2538738

IUPAC[2-(4-methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
SMILESCOc1ccc2c(CC(=O)OCC(=O)Nc3ccc(C)cc3)coc2c1
InChIInChI=1S/C20H19NO5/c1-13-3-5-15(6-4-13)21-19(22)12-26-20(23)9-14-11-25-18-10-16(24-2)7-8-17(14)18/h3-8,10-11H,9,12H2,1-2H3,(H,21,22)
InChIKeyRUDZNUHOUVCFMU-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.47
Rot. Bonds6

About [2-(4-methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate

[2-(4-methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate (PubChem CID 2538738) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is [2-(4-methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name[2-(4-methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
PubChem CID2538738
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name[2-(4-methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
SMILESCOc1ccc2c(CC(=O)OCC(=O)Nc3ccc(C)cc3)coc2c1
InChIInChI=1S/C20H19NO5/c1-13-3-5-15(6-4-13)21-19(22)12-26-20(23)9-14-11-25-18-10-16(24-2)7-8-17(14)18/h3-8,10-11H,9,12H2,1-2H3,(H,21,22)
InChIKeyRUDZNUHOUVCFMU-UHFFFAOYSA-N
XLogP3.47
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The IUPAC name of [2-(4-methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate (CID 2538738) is [2-(4-methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate.
What is the SMILES notation for [2-(4-methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The canonical SMILES for [2-(4-methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate is COc1ccc2c(CC(=O)OCC(=O)Nc3ccc(C)cc3)coc2c1.
What is the InChIKey of [2-(4-methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The InChIKey is RUDZNUHOUVCFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-13-3-5-15(6-4-13)21-19(22)12-26-20(23)9-14-11-25-18-10-16(24-2)7-8-17(14)18/h3-8,10-11H,9,12H2,1-2H3,(H,21,22).
What are the key properties of [2-(4-methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
[2-(4-methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate has a molecular weight of 353.37 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 2538738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).