[2-(2-methylanilino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate

C19H17NO4 — CID 2653255

IUPAC[2-(2-methylanilino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
SMILESCc1ccccc1NC(=O)COC(=O)c1oc2ccccc2c1C
InChIInChI=1S/C19H17NO4/c1-12-7-3-5-9-15(12)20-17(21)11-23-19(22)18-13(2)14-8-4-6-10-16(14)24-18/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyUCLIZUKZIMRYKB-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.85
Rot. Bonds4

About [2-(2-methylanilino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate

[2-(2-methylanilino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate (PubChem CID 2653255) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is [2-(2-methylanilino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-(2-methylanilino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
PubChem CID2653255
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name[2-(2-methylanilino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
SMILESCc1ccccc1NC(=O)COC(=O)c1oc2ccccc2c1C
InChIInChI=1S/C19H17NO4/c1-12-7-3-5-9-15(12)20-17(21)11-23-19(22)18-13(2)14-8-4-6-10-16(14)24-18/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyUCLIZUKZIMRYKB-UHFFFAOYSA-N
XLogP3.85
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methylsulfonylanilino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 8739001
[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 16506341
[2-(methylamino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 2410420
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 7292194
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 7624847
[2-(3-acetamidoanilino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 7239225
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 7239213
[2-oxo-2-(propylamino)ethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 2666973
[2-[4-(diethylamino)anilino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 16506325
[2-(3-fluoroanilino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 2666924
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 2653280
[2-(butan-2-ylamino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 18074975

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylanilino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of [2-(2-methylanilino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate (CID 2653255) is [2-(2-methylanilino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-(2-methylanilino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for [2-(2-methylanilino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate is Cc1ccccc1NC(=O)COC(=O)c1oc2ccccc2c1C.
What is the InChIKey of [2-(2-methylanilino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is UCLIZUKZIMRYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-12-7-3-5-9-15(12)20-17(21)11-23-19(22)18-13(2)14-8-4-6-10-16(14)24-18/h3-10H,11H2,1-2H3,(H,20,21).
What are the key properties of [2-(2-methylanilino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate?
[2-(2-methylanilino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylanilino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 2653255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).