2-(4-ethoxyphenyl)-N-[2-(6-oxopyridazin-1-yl)ethyl]acetamide

C16H19N3O3 — CID 42226708

IUPAC2-(4-ethoxyphenyl)-N-[2-(6-oxopyridazin-1-yl)ethyl]acetamide
SMILESCCOc1ccc(CC(=O)NCCn2ncccc2=O)cc1
InChIInChI=1S/C16H19N3O3/c1-2-22-14-7-5-13(6-8-14)12-15(20)17-10-11-19-16(21)4-3-9-18-19/h3-9H,2,10-12H2,1H3,(H,17,20)
InChIKeyNWOOCOPDQVILCL-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.00
Rot. Bonds7

About 2-(4-ethoxyphenyl)-N-[2-(6-oxopyridazin-1-yl)ethyl]acetamide

2-(4-ethoxyphenyl)-N-[2-(6-oxopyridazin-1-yl)ethyl]acetamide (PubChem CID 42226708) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[2-(6-oxopyridazin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[2-(6-oxopyridazin-1-yl)ethyl]acetamide
PubChem CID42226708
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name2-(4-ethoxyphenyl)-N-[2-(6-oxopyridazin-1-yl)ethyl]acetamide
SMILESCCOc1ccc(CC(=O)NCCn2ncccc2=O)cc1
InChIInChI=1S/C16H19N3O3/c1-2-22-14-7-5-13(6-8-14)12-15(20)17-10-11-19-16(21)4-3-9-18-19/h3-9H,2,10-12H2,1H3,(H,17,20)
InChIKeyNWOOCOPDQVILCL-UHFFFAOYSA-N
XLogP1.00
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[2-(6-oxopyridazin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[2-(6-oxopyridazin-1-yl)ethyl]acetamide (CID 42226708) is 2-(4-ethoxyphenyl)-N-[2-(6-oxopyridazin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[2-(6-oxopyridazin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[2-(6-oxopyridazin-1-yl)ethyl]acetamide is CCOc1ccc(CC(=O)NCCn2ncccc2=O)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[2-(6-oxopyridazin-1-yl)ethyl]acetamide?
The InChIKey is NWOOCOPDQVILCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-2-22-14-7-5-13(6-8-14)12-15(20)17-10-11-19-16(21)4-3-9-18-19/h3-9H,2,10-12H2,1H3,(H,17,20).
What are the key properties of 2-(4-ethoxyphenyl)-N-[2-(6-oxopyridazin-1-yl)ethyl]acetamide?
2-(4-ethoxyphenyl)-N-[2-(6-oxopyridazin-1-yl)ethyl]acetamide has a molecular weight of 301.35 g/mol, XLogP of 1.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[2-(6-oxopyridazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 42226708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).