[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate

C26H22N2O8 — CID 55399528

IUPAC[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate
SMILESCN(C(=O)COC(=O)COc1ccc2ccc(=O)oc2c1)c1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C26H22N2O8/c1-28(21-7-3-2-6-20(21)26(32)27-14-19-5-4-12-33-19)23(29)15-35-25(31)16-34-18-10-8-17-9-11-24(30)36-22(17)13-18/h2-13H,14-16H2,1H3,(H,27,32)
InChIKeyXWWQNAJYFQDVHR-UHFFFAOYSA-N
MW490.47 g/mol
LogP2.90
Rot. Bonds9

About [2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate

[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate (PubChem CID 55399528) has the molecular formula C26H22N2O8 and a molecular weight of 490.47 g/mol. Its IUPAC name is [2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate.

Molecular Properties

Compound Name[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate
PubChem CID55399528
Molecular FormulaC26H22N2O8
Molecular Weight490.47 g/mol
Exact Mass490.14
IUPAC Name[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate
SMILESCN(C(=O)COC(=O)COc1ccc2ccc(=O)oc2c1)c1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C26H22N2O8/c1-28(21-7-3-2-6-20(21)26(32)27-14-19-5-4-12-33-19)23(29)15-35-25(31)16-34-18-10-8-17-9-11-24(30)36-22(17)13-18/h2-13H,14-16H2,1H3,(H,27,32)
InChIKeyXWWQNAJYFQDVHR-UHFFFAOYSA-N
XLogP2.90
TPSA128.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate
CID 34795367
N-(furan-2-ylmethyl)-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide
CID 46421125
2-[[2-(4-acetylphenoxy)acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
CID 34090050
[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 55399444
2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
CID 34141104
[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 55401207
[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 4-prop-2-enoxybenzoate
CID 55570843
N-(furan-2-ylmethyl)-2-[methyl-[2-[methyl(naphthalen-2-yl)amino]acetyl]amino]benzamide
CID 78818353
[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 4-hydroxybenzoate
CID 55397483
[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] furan-3-carboxylate
CID 18154760
[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate
CID 55403829
7-ethoxy-N-(furan-2-ylmethyl)-2-oxochromene-3-carboxamide
CID 5262910

Frequently Asked Questions

What is the IUPAC name of [2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate?
The IUPAC name of [2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate (CID 55399528) is [2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate.
What is the SMILES notation for [2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate?
The canonical SMILES for [2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate is CN(C(=O)COC(=O)COc1ccc2ccc(=O)oc2c1)c1ccccc1C(=O)NCc1ccco1.
What is the InChIKey of [2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate?
The InChIKey is XWWQNAJYFQDVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O8/c1-28(21-7-3-2-6-20(21)26(32)27-14-19-5-4-12-33-19)23(29)15-35-25(31)16-34-18-10-8-17-9-11-24(30)36-22(17)13-18/h2-13H,14-16H2,1H3,(H,27,32).
What are the key properties of [2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate?
[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate has a molecular weight of 490.47 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate is sourced from PubChem (CID 55399528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).