N-(2-methoxyethyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide

C16H19N3O3 — CID 3154555

IUPACN-(2-methoxyethyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCOCCNC(=O)Cn1nc(-c2ccc(C)cc2)ccc1=O
InChIInChI=1S/C16H19N3O3/c1-12-3-5-13(6-4-12)14-7-8-16(21)19(18-14)11-15(20)17-9-10-22-2/h3-8H,9-11H2,1-2H3,(H,17,20)
InChIKeyLMVCPZVVJMNASK-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.98
Rot. Bonds6

About N-(2-methoxyethyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide

N-(2-methoxyethyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 3154555) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID3154555
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-(2-methoxyethyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCOCCNC(=O)Cn1nc(-c2ccc(C)cc2)ccc1=O
InChIInChI=1S/C16H19N3O3/c1-12-3-5-13(6-4-12)14-7-8-16(21)19(18-14)11-15(20)17-9-10-22-2/h3-8H,9-11H2,1-2H3,(H,17,20)
InChIKeyLMVCPZVVJMNASK-UHFFFAOYSA-N
XLogP0.98
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide (CID 3154555) is N-(2-methoxyethyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide is COCCNC(=O)Cn1nc(-c2ccc(C)cc2)ccc1=O.
What is the InChIKey of N-(2-methoxyethyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is LMVCPZVVJMNASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-12-3-5-13(6-4-12)14-7-8-16(21)19(18-14)11-15(20)17-9-10-22-2/h3-8H,9-11H2,1-2H3,(H,17,20).
What are the key properties of N-(2-methoxyethyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
N-(2-methoxyethyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 301.35 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 3154555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).