cyclooctane;2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide

C22H31N3O3 — CID 75366540

IUPACcyclooctane;2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide
SMILESC1CCCCCCC1.CNC(=O)Cn1nc(-c2ccc(OC)cc2)ccc1=O
InChIInChI=1S/C14H15N3O3.C8H16/c1-15-13(18)9-17-14(19)8-7-12(16-17)10-3-5-11(20-2)6-4-10;1-2-4-6-8-7-5-3-1/h3-8H,9H2,1-2H3,(H,15,18);1-8H2
InChIKeyNCFPTVYTQWRAAV-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.79
Rot. Bonds4

About cyclooctane;2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide

cyclooctane;2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide (PubChem CID 75366540) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is cyclooctane;2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Namecyclooctane;2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide
PubChem CID75366540
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Namecyclooctane;2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide
SMILESC1CCCCCCC1.CNC(=O)Cn1nc(-c2ccc(OC)cc2)ccc1=O
InChIInChI=1S/C14H15N3O3.C8H16/c1-15-13(18)9-17-14(19)8-7-12(16-17)10-3-5-11(20-2)6-4-10;1-2-4-6-8-7-5-3-1/h3-8H,9H2,1-2H3,(H,15,18);1-8H2
InChIKeyNCFPTVYTQWRAAV-UHFFFAOYSA-N
XLogP3.79
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7660079
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121050358
4-[[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]butanoic acid
CID 51053004
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide
CID 121050323
N-(4-methoxyphenyl)-2-[3-(4-methylsulfanylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 53370402
N-[2-(4-methoxyphenoxy)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050625
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 121051121
4-[[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide
CID 51049093
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 7660100
N-(5-chloro-2-methoxyphenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 5064821
N-[2-(4-chlorophenyl)ethyl]-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050345
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 121050334

Frequently Asked Questions

What is the IUPAC name of cyclooctane;2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide?
The IUPAC name of cyclooctane;2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide (CID 75366540) is cyclooctane;2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide.
What is the SMILES notation for cyclooctane;2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide?
The canonical SMILES for cyclooctane;2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide is C1CCCCCCC1.CNC(=O)Cn1nc(-c2ccc(OC)cc2)ccc1=O.
What is the InChIKey of cyclooctane;2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide?
The InChIKey is NCFPTVYTQWRAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3.C8H16/c1-15-13(18)9-17-14(19)8-7-12(16-17)10-3-5-11(20-2)6-4-10;1-2-4-6-8-7-5-3-1/h3-8H,9H2,1-2H3,(H,15,18);1-8H2.
What are the key properties of cyclooctane;2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide?
cyclooctane;2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide has a molecular weight of 385.51 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctane;2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 75366540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).