[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] furan-3-carboxylate

C20H18N2O6 — CID 18154760

IUPAC[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] furan-3-carboxylate
SMILESCN(C(=O)COC(=O)c1ccoc1)c1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C20H18N2O6/c1-22(18(23)13-28-20(25)14-8-10-26-12-14)17-7-3-2-6-16(17)19(24)21-11-15-5-4-9-27-15/h2-10,12H,11,13H2,1H3,(H,21,24)
InChIKeyHIWHCZNZWRKZRI-UHFFFAOYSA-N
MW382.37 g/mol
LogP2.62
Rot. Bonds7

About [2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] furan-3-carboxylate

[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] furan-3-carboxylate (PubChem CID 18154760) has the molecular formula C20H18N2O6 and a molecular weight of 382.37 g/mol. Its IUPAC name is [2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] furan-3-carboxylate.

Molecular Properties

Compound Name[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] furan-3-carboxylate
PubChem CID18154760
Molecular FormulaC20H18N2O6
Molecular Weight382.37 g/mol
Exact Mass382.12
IUPAC Name[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] furan-3-carboxylate
SMILESCN(C(=O)COC(=O)c1ccoc1)c1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C20H18N2O6/c1-22(18(23)13-28-20(25)14-8-10-26-12-14)17-7-3-2-6-16(17)19(24)21-11-15-5-4-9-27-15/h2-10,12H,11,13H2,1H3,(H,21,24)
InChIKeyHIWHCZNZWRKZRI-UHFFFAOYSA-N
XLogP2.62
TPSA101.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 52.62
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] 4-pyrrol-1-ylbenzoate
CID 55402571
[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-prop-2-enoxybenzoate
CID 55570843
[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 55401207
[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 1-methyl-4-nitropyrrole-2-carboxylate
CID 18283226
2-[[2-(4-acetylphenoxy)acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
CID 34090050
[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] 3-(thiophene-3-carbonylamino)propanoate
CID 55403829
[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 1-ethylsulfonylpiperidine-4-carboxylate
CID 55403926
2-[[2-[4-(4-cyanophenyl)phenoxy]acetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
CID 34141104
2-[[2-(2-chlorophenyl)sulfanylacetyl]-methylamino]-N-(furan-2-ylmethyl)benzamide
CID 8555309

Frequently Asked Questions

What is the IUPAC name of [2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] furan-3-carboxylate?
The IUPAC name of [2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] furan-3-carboxylate (CID 18154760) is [2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] furan-3-carboxylate.
What is the SMILES notation for [2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] furan-3-carboxylate?
The canonical SMILES for [2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] furan-3-carboxylate is CN(C(=O)COC(=O)c1ccoc1)c1ccccc1C(=O)NCc1ccco1.
What is the InChIKey of [2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] furan-3-carboxylate?
The InChIKey is HIWHCZNZWRKZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O6/c1-22(18(23)13-28-20(25)14-8-10-26-12-14)17-7-3-2-6-16(17)19(24)21-11-15-5-4-9-27-15/h2-10,12H,11,13H2,1H3,(H,21,24).
What are the key properties of [2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] furan-3-carboxylate?
[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] furan-3-carboxylate has a molecular weight of 382.37 g/mol, XLogP of 2.62, 7 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] furan-3-carboxylate is sourced from PubChem (CID 18154760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).