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

C23H24N4O4 — CID 121050682

IUPACN-[4-(2-acetamidoethoxy)phenyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCC(=O)NCCOc1ccc(NC(=O)Cn2nc(-c3ccc(C)cc3)ccc2=O)cc1
InChIInChI=1S/C23H24N4O4/c1-16-3-5-18(6-4-16)21-11-12-23(30)27(26-21)15-22(29)25-19-7-9-20(10-8-19)31-14-13-24-17(2)28/h3-12H,13-15H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyDFUYCFNOETUMII-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.37
Rot. Bonds8

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

N-[4-(2-acetamidoethoxy)phenyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 121050682) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[4-(2-acetamidoethoxy)phenyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(2-acetamidoethoxy)phenyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID121050682
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC NameN-[4-(2-acetamidoethoxy)phenyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCC(=O)NCCOc1ccc(NC(=O)Cn2nc(-c3ccc(C)cc3)ccc2=O)cc1
InChIInChI=1S/C23H24N4O4/c1-16-3-5-18(6-4-16)21-11-12-23(30)27(26-21)15-22(29)25-19-7-9-20(10-8-19)31-14-13-24-17(2)28/h3-12H,13-15H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyDFUYCFNOETUMII-UHFFFAOYSA-N
XLogP2.37
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-acetamidoethoxy)phenyl]-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051137
N-[2-(4-methoxyphenoxy)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050625
2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 7662136
ethyl 4-[[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzoate
CID 7662139
N-(4-acetamidophenyl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 7659832
2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7662101
N-(4-bromophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7660079
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 51048661
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
4-[[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide
CID 51049093
N-(3-methylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662380

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-acetamidoethoxy)phenyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-[4-(2-acetamidoethoxy)phenyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide (CID 121050682) is N-[4-(2-acetamidoethoxy)phenyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-[4-(2-acetamidoethoxy)phenyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-[4-(2-acetamidoethoxy)phenyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide is CC(=O)NCCOc1ccc(NC(=O)Cn2nc(-c3ccc(C)cc3)ccc2=O)cc1.
What is the InChIKey of N-[4-(2-acetamidoethoxy)phenyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is DFUYCFNOETUMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-16-3-5-18(6-4-16)21-11-12-23(30)27(26-21)15-22(29)25-19-7-9-20(10-8-19)31-14-13-24-17(2)28/h3-12H,13-15H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of N-[4-(2-acetamidoethoxy)phenyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
N-[4-(2-acetamidoethoxy)phenyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 420.47 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-acetamidoethoxy)phenyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 121050682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).