[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-methylfuran-2-carboxylate

C23H22N2O6 — CID 27118112

IUPAC[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-methylfuran-2-carboxylate
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)COC(=O)c3occc3C)cc2)cc1
InChIInChI=1S/C23H22N2O6/c1-3-29-19-10-8-18(9-11-19)25-22(27)16-4-6-17(7-5-16)24-20(26)14-31-23(28)21-15(2)12-13-30-21/h4-13H,3,14H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyGVVJAJOXYYAILK-UHFFFAOYSA-N
MW422.44 g/mol
LogP4.03
Rot. Bonds8

About [2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-methylfuran-2-carboxylate

[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-methylfuran-2-carboxylate (PubChem CID 27118112) has the molecular formula C23H22N2O6 and a molecular weight of 422.44 g/mol. Its IUPAC name is [2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-methylfuran-2-carboxylate.

Molecular Properties

Compound Name[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-methylfuran-2-carboxylate
PubChem CID27118112
Molecular FormulaC23H22N2O6
Molecular Weight422.44 g/mol
Exact Mass422.15
IUPAC Name[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-methylfuran-2-carboxylate
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)COC(=O)c3occc3C)cc2)cc1
InChIInChI=1S/C23H22N2O6/c1-3-29-19-10-8-18(9-11-19)25-22(27)16-4-6-17(7-5-16)24-20(26)14-31-23(28)21-15(2)12-13-30-21/h4-13H,3,14H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyGVVJAJOXYYAILK-UHFFFAOYSA-N
XLogP4.03
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-bromobenzoate
CID 55318570
[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-methylpropanoate
CID 7782334
N-(4-ethoxyphenyl)-4-[(2-hydroxyacetyl)amino]benzamide
CID 8006880
[2-(4-ethoxyanilino)-2-oxoethyl] 4-propoxybenzoate
CID 7211928
[2-(4-chloroanilino)-2-oxoethyl] 4-ethoxybenzoate
CID 7574746
N-(4-ethoxyphenyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]benzamide
CID 26218143
[2-(4-ethoxyanilino)-2-oxoethyl] 6-methylpyridine-3-carboxylate
CID 71823503
[2-(4-ethoxyanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884932
[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-oxochromene-2-carboxylate
CID 42969814
[2-(4-ethoxyanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133676
4-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 13388921
[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-ethoxybenzoate
CID 2563718

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-methylfuran-2-carboxylate?
The IUPAC name of [2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-methylfuran-2-carboxylate (CID 27118112) is [2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-methylfuran-2-carboxylate.
What is the SMILES notation for [2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-methylfuran-2-carboxylate?
The canonical SMILES for [2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-methylfuran-2-carboxylate is CCOc1ccc(NC(=O)c2ccc(NC(=O)COC(=O)c3occc3C)cc2)cc1.
What is the InChIKey of [2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-methylfuran-2-carboxylate?
The InChIKey is GVVJAJOXYYAILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O6/c1-3-29-19-10-8-18(9-11-19)25-22(27)16-4-6-17(7-5-16)24-20(26)14-31-23(28)21-15(2)12-13-30-21/h4-13H,3,14H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of [2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-methylfuran-2-carboxylate?
[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-methylfuran-2-carboxylate has a molecular weight of 422.44 g/mol, XLogP of 4.03, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-methylfuran-2-carboxylate is sourced from PubChem (CID 27118112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).