2-(4-acetylphenoxy)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide

C22H21N3O4 — CID 121033289

IUPAC2-(4-acetylphenoxy)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
SMILESCC(=O)c1ccc(OCC(=O)NCCn2nc(-c3ccccc3)ccc2=O)cc1
InChIInChI=1S/C22H21N3O4/c1-16(26)17-7-9-19(10-8-17)29-15-21(27)23-13-14-25-22(28)12-11-20(24-25)18-5-3-2-4-6-18/h2-12H,13-15H2,1H3,(H,23,27)
InChIKeyHMFLXBWGWQZLIJ-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.31
Rot. Bonds8

About 2-(4-acetylphenoxy)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide

2-(4-acetylphenoxy)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide (PubChem CID 121033289) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 2-(4-acetylphenoxy)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-acetylphenoxy)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
PubChem CID121033289
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name2-(4-acetylphenoxy)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
SMILESCC(=O)c1ccc(OCC(=O)NCCn2nc(-c3ccccc3)ccc2=O)cc1
InChIInChI=1S/C22H21N3O4/c1-16(26)17-7-9-19(10-8-17)29-15-21(27)23-13-14-25-22(28)12-11-20(24-25)18-5-3-2-4-6-18/h2-12H,13-15H2,1H3,(H,23,27)
InChIKeyHMFLXBWGWQZLIJ-UHFFFAOYSA-N
XLogP2.31
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121050519
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121050358
N-[3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propyl]-2-phenoxyacetamide
CID 42138740
N-[2-oxo-2-[2-(6-oxo-3-phenylpyridazin-1-yl)ethylamino]ethyl]benzamide
CID 121033287
2-(3-methyl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121033306
3,4-diethoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide
CID 41240868
N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]-2-(4-phenylphenoxy)acetamide
CID 122280641
3-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide
CID 51366097
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-iodobenzamide
CID 41241225
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methoxybenzamide
CID 41241118
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 121033720
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121051682

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenoxy)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(4-acetylphenoxy)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide (CID 121033289) is 2-(4-acetylphenoxy)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-acetylphenoxy)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-acetylphenoxy)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide is CC(=O)c1ccc(OCC(=O)NCCn2nc(-c3ccccc3)ccc2=O)cc1.
What is the InChIKey of 2-(4-acetylphenoxy)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide?
The InChIKey is HMFLXBWGWQZLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-16(26)17-7-9-19(10-8-17)29-15-21(27)23-13-14-25-22(28)12-11-20(24-25)18-5-3-2-4-6-18/h2-12H,13-15H2,1H3,(H,23,27).
What are the key properties of 2-(4-acetylphenoxy)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide?
2-(4-acetylphenoxy)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide has a molecular weight of 391.43 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenoxy)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 121033289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).