[2-(furan-2-carbonylamino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate

C16H12N2O6 — CID 24557569

IUPAC[2-(furan-2-carbonylamino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
SMILESN#Cc1ccc(OCC(=O)OCC(=O)NC(=O)c2ccco2)cc1
InChIInChI=1S/C16H12N2O6/c17-8-11-3-5-12(6-4-11)23-10-15(20)24-9-14(19)18-16(21)13-2-1-7-22-13/h1-7H,9-10H2,(H,18,19,21)
InChIKeyIEMWMEZMDWBJLD-UHFFFAOYSA-N
MW328.28 g/mol
LogP1.03
Rot. Bonds6

About [2-(furan-2-carbonylamino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate

[2-(furan-2-carbonylamino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate (PubChem CID 24557569) has the molecular formula C16H12N2O6 and a molecular weight of 328.28 g/mol. Its IUPAC name is [2-(furan-2-carbonylamino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate.

Molecular Properties

Compound Name[2-(furan-2-carbonylamino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
PubChem CID24557569
Molecular FormulaC16H12N2O6
Molecular Weight328.28 g/mol
Exact Mass328.07
IUPAC Name[2-(furan-2-carbonylamino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
SMILESN#Cc1ccc(OCC(=O)OCC(=O)NC(=O)c2ccco2)cc1
InChIInChI=1S/C16H12N2O6/c17-8-11-3-5-12(6-4-11)23-10-15(20)24-9-14(19)18-16(21)13-2-1-7-22-13/h1-7H,9-10H2,(H,18,19,21)
InChIKeyIEMWMEZMDWBJLD-UHFFFAOYSA-N
XLogP1.03
TPSA118.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(furan-2-carbonylamino)-2-oxoethyl] 2-(4-acetylphenoxy)acetate
CID 24558117
[2-(furan-2-carbonylamino)-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
CID 24558114
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983687
2-(4-cyanophenoxy)-N-[(Z)-1-(furan-2-yl)ethylideneamino]acetamide
CID 6378395
(2-amino-2-oxoethyl) 2-(4-cyanophenoxy)acetate
CID 2098514
N-[2-(3-aminophenoxy)acetyl]furan-2-carboxamide
CID 54909239
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 9141001
(2-benzamido-2-oxoethyl) 2-(furan-2-carbonylamino)acetate
CID 7879888
[2-(4-cyanoanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2592546
[2-(4-cyanoanilino)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 9140419
[2-(butylamino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 9140972
methyl 2-[4-(furan-2-carbonylamino)phenoxy]acetate
CID 892442

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-carbonylamino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate?
The IUPAC name of [2-(furan-2-carbonylamino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate (CID 24557569) is [2-(furan-2-carbonylamino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate.
What is the SMILES notation for [2-(furan-2-carbonylamino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate?
The canonical SMILES for [2-(furan-2-carbonylamino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate is N#Cc1ccc(OCC(=O)OCC(=O)NC(=O)c2ccco2)cc1.
What is the InChIKey of [2-(furan-2-carbonylamino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate?
The InChIKey is IEMWMEZMDWBJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O6/c17-8-11-3-5-12(6-4-11)23-10-15(20)24-9-14(19)18-16(21)13-2-1-7-22-13/h1-7H,9-10H2,(H,18,19,21).
What are the key properties of [2-(furan-2-carbonylamino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate?
[2-(furan-2-carbonylamino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate has a molecular weight of 328.28 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-carbonylamino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate is sourced from PubChem (CID 24557569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).