[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 1H-indole-2-carboxylate

C24H21N3O5 — CID 55401207

IUPAC[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 1H-indole-2-carboxylate
SMILESCN(C(=O)COC(=O)c1cc2ccccc2[nH]1)c1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C24H21N3O5/c1-27(21-11-5-3-9-18(21)23(29)25-14-17-8-6-12-31-17)22(28)15-32-24(30)20-13-16-7-2-4-10-19(16)26-20/h2-13,26H,14-15H2,1H3,(H,25,29)
InChIKeyLYBNZDDDXJRNBZ-UHFFFAOYSA-N
MW431.45 g/mol
LogP3.51
Rot. Bonds7

About [2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 1H-indole-2-carboxylate

[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 1H-indole-2-carboxylate (PubChem CID 55401207) has the molecular formula C24H21N3O5 and a molecular weight of 431.45 g/mol. Its IUPAC name is [2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 1H-indole-2-carboxylate.

Molecular Properties

Compound Name[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 1H-indole-2-carboxylate
PubChem CID55401207
Molecular FormulaC24H21N3O5
Molecular Weight431.45 g/mol
Exact Mass431.15
IUPAC Name[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 1H-indole-2-carboxylate
SMILESCN(C(=O)COC(=O)c1cc2ccccc2[nH]1)c1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C24H21N3O5/c1-27(21-11-5-3-9-18(21)23(29)25-14-17-8-6-12-31-17)22(28)15-32-24(30)20-13-16-7-2-4-10-19(16)26-20/h2-13,26H,14-15H2,1H3,(H,25,29)
InChIKeyLYBNZDDDXJRNBZ-UHFFFAOYSA-N
XLogP3.51
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 55399444
[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-pyrrol-1-ylbenzoate
CID 55402571
[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 4-prop-2-enoxybenzoate
CID 55570843
[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
N-(furan-2-ylmethyl)-2-[methyl-[2-[methyl(naphthalen-2-yl)amino]acetyl]amino]benzamide
CID 78818353
2-[[2-(4-acetylphenoxy)acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
CID 34090050
[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate
CID 55399528
[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

Frequently Asked Questions

What is the IUPAC name of [2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 1H-indole-2-carboxylate?
The IUPAC name of [2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 1H-indole-2-carboxylate (CID 55401207) is [2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 1H-indole-2-carboxylate.
What is the SMILES notation for [2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 1H-indole-2-carboxylate?
The canonical SMILES for [2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 1H-indole-2-carboxylate is CN(C(=O)COC(=O)c1cc2ccccc2[nH]1)c1ccccc1C(=O)NCc1ccco1.
What is the InChIKey of [2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 1H-indole-2-carboxylate?
The InChIKey is LYBNZDDDXJRNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O5/c1-27(21-11-5-3-9-18(21)23(29)25-14-17-8-6-12-31-17)22(28)15-32-24(30)20-13-16-7-2-4-10-19(16)26-20/h2-13,26H,14-15H2,1H3,(H,25,29).
What are the key properties of [2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 1H-indole-2-carboxylate?
[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 1H-indole-2-carboxylate has a molecular weight of 431.45 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 1H-indole-2-carboxylate is sourced from PubChem (CID 55401207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).