N-ethyl-2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-methylacetamide

C18H20N4O4 — CID 70723587

IUPACN-ethyl-2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-methylacetamide
SMILESCCN(C)C(=O)Cn1c(-c2ccco2)nn(-c2ccccc2OC)c1=O
InChIInChI=1S/C18H20N4O4/c1-4-20(2)16(23)12-21-17(15-10-7-11-26-15)19-22(18(21)24)13-8-5-6-9-14(13)25-3/h5-11H,4,12H2,1-3H3
InChIKeyHWRAKWSQMWFXFU-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.78
Rot. Bonds6

About N-ethyl-2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-methylacetamide

N-ethyl-2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-methylacetamide (PubChem CID 70723587) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is N-ethyl-2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-methylacetamide
PubChem CID70723587
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC NameN-ethyl-2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-methylacetamide
SMILESCCN(C)C(=O)Cn1c(-c2ccco2)nn(-c2ccccc2OC)c1=O
InChIInChI=1S/C18H20N4O4/c1-4-20(2)16(23)12-21-17(15-10-7-11-26-15)19-22(18(21)24)13-8-5-6-9-14(13)25-3/h5-11H,4,12H2,1-3H3
InChIKeyHWRAKWSQMWFXFU-UHFFFAOYSA-N
XLogP1.78
TPSA82.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-methylacetamide?
The IUPAC name of N-ethyl-2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-methylacetamide (CID 70723587) is N-ethyl-2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-methylacetamide.
What is the SMILES notation for N-ethyl-2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-methylacetamide?
The canonical SMILES for N-ethyl-2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-methylacetamide is CCN(C)C(=O)Cn1c(-c2ccco2)nn(-c2ccccc2OC)c1=O.
What is the InChIKey of N-ethyl-2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-methylacetamide?
The InChIKey is HWRAKWSQMWFXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-4-20(2)16(23)12-21-17(15-10-7-11-26-15)19-22(18(21)24)13-8-5-6-9-14(13)25-3/h5-11H,4,12H2,1-3H3.
What are the key properties of N-ethyl-2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-methylacetamide?
N-ethyl-2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-methylacetamide has a molecular weight of 356.38 g/mol, XLogP of 1.78, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(furan-2-yl)-1-(2-methoxyphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-methylacetamide is sourced from PubChem (CID 70723587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).