[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate

C26H23N3O5 — CID 55402571

IUPAC[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate
SMILESCN(C(=O)COC(=O)c1ccc(-n2cccc2)cc1)c1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C26H23N3O5/c1-28(23-9-3-2-8-22(23)25(31)27-17-21-7-6-16-33-21)24(30)18-34-26(32)19-10-12-20(13-11-19)29-14-4-5-15-29/h2-16H,17-18H2,1H3,(H,27,31)
InChIKeyWPTJQGYAXCFCIY-UHFFFAOYSA-N
MW457.49 g/mol
LogP3.82
Rot. Bonds8

About [2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate

[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate (PubChem CID 55402571) has the molecular formula C26H23N3O5 and a molecular weight of 457.49 g/mol. Its IUPAC name is [2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate.

Molecular Properties

Compound Name[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate
PubChem CID55402571
Molecular FormulaC26H23N3O5
Molecular Weight457.49 g/mol
Exact Mass457.16
IUPAC Name[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate
SMILESCN(C(=O)COC(=O)c1ccc(-n2cccc2)cc1)c1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C26H23N3O5/c1-28(23-9-3-2-8-22(23)25(31)27-17-21-7-6-16-33-21)24(30)18-34-26(32)19-10-12-20(13-11-19)29-14-4-5-15-29/h2-16H,17-18H2,1H3,(H,27,31)
InChIKeyWPTJQGYAXCFCIY-UHFFFAOYSA-N
XLogP3.82
TPSA93.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[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] 4-prop-2-enoxybenzoate
CID 55570843
[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 55399444
[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 55401207
2-[[2-(4-acetylphenoxy)acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
CID 34090050
[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 1-methyl-4-nitropyrrole-2-carboxylate
CID 18283226
[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate
CID 34795367
[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 1-ethylsulfonylpiperidine-4-carboxylate
CID 55403926
[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate
CID 55403829
1-O-tert-butyl 3-O-[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] piperidine-1,3-dicarboxylate
CID 55473420
2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
CID 34141104

Frequently Asked Questions

What is the IUPAC name of [2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate?
The IUPAC name of [2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate (CID 55402571) is [2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate.
What is the SMILES notation for [2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate?
The canonical SMILES for [2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate is CN(C(=O)COC(=O)c1ccc(-n2cccc2)cc1)c1ccccc1C(=O)NCc1ccco1.
What is the InChIKey of [2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate?
The InChIKey is WPTJQGYAXCFCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O5/c1-28(23-9-3-2-8-22(23)25(31)27-17-21-7-6-16-33-21)24(30)18-34-26(32)19-10-12-20(13-11-19)29-14-4-5-15-29/h2-16H,17-18H2,1H3,(H,27,31).
What are the key properties of [2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate?
[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate has a molecular weight of 457.49 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate is sourced from PubChem (CID 55402571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).