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

C22H23N3O4 — CID 121050625

IUPACN-[2-(4-methoxyphenoxy)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCOc1ccc(OCCNC(=O)Cn2nc(-c3ccc(C)cc3)ccc2=O)cc1
InChIInChI=1S/C22H23N3O4/c1-16-3-5-17(6-4-16)20-11-12-22(27)25(24-20)15-21(26)23-13-14-29-19-9-7-18(28-2)8-10-19/h3-12H,13-15H2,1-2H3,(H,23,26)
InChIKeyMSFPGGQNOACWIE-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.42
Rot. Bonds8

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

N-[2-(4-methoxyphenoxy)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 121050625) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID121050625
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCOc1ccc(OCCNC(=O)Cn2nc(-c3ccc(C)cc3)ccc2=O)cc1
InChIInChI=1S/C22H23N3O4/c1-16-3-5-17(6-4-16)20-11-12-22(27)25(24-20)15-21(26)23-13-14-29-19-9-7-18(28-2)8-10-19/h3-12H,13-15H2,1-2H3,(H,23,26)
InChIKeyMSFPGGQNOACWIE-UHFFFAOYSA-N
XLogP2.42
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 121050192
N-[4-(2-acetamidoethoxy)phenyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050682
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-bromophenyl)-6-oxopyridazin-1-yl]-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 121051121
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 5099385
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-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]acetamide
CID 121050363
cyclooctane;2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide
CID 75366540
N-[2-(4-ethoxyphenoxy)ethyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)acetamide
CID 121052481
N-[2-(3,5-dimethylphenoxy)ethyl]-2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051925
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051815

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide (CID 121050625) is N-[2-(4-methoxyphenoxy)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide is COc1ccc(OCCNC(=O)Cn2nc(-c3ccc(C)cc3)ccc2=O)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is MSFPGGQNOACWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-16-3-5-17(6-4-16)20-11-12-22(27)25(24-20)15-21(26)23-13-14-29-19-9-7-18(28-2)8-10-19/h3-12H,13-15H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide?
N-[2-(4-methoxyphenoxy)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 393.44 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 121050625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).