2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide

C22H23N3O4 — CID 7666583

IUPAC2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)NCCc3ccccc3)n2)c(OC)c1
InChIInChI=1S/C22H23N3O4/c1-28-17-8-9-18(20(14-17)29-2)19-10-11-22(27)25(24-19)15-21(26)23-13-12-16-6-4-3-5-7-16/h3-11,14H,12-13,15H2,1-2H3,(H,23,26)
InChIKeyGOXQMFWJRBIGGJ-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.29
Rot. Bonds8

About 2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide

2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide (PubChem CID 7666583) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide
PubChem CID7666583
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)NCCc3ccccc3)n2)c(OC)c1
InChIInChI=1S/C22H23N3O4/c1-28-17-8-9-18(20(14-17)29-2)19-10-11-22(27)25(24-19)15-21(26)23-13-12-16-6-4-3-5-7-16/h3-11,14H,12-13,15H2,1-2H3,(H,23,26)
InChIKeyGOXQMFWJRBIGGJ-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 52900581
benzyl 2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetate
CID 7666486
N-benzyl-2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 51043150
2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 121050274
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 6620516
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 121051159
3-(2,4-dimethoxyphenyl)-1-methyl-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 4567255
4-[[2-[3-(4-fluoro-2-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]butanoic acid
CID 51054302
N-[2-(4-chlorophenyl)ethyl]-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050345
N-[(3-methoxyphenyl)methyl]-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
CID 7664920
6-(2,4-dimethoxyphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 16811039
2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 41376583

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide (CID 7666583) is 2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide is COc1ccc(-c2ccc(=O)n(CC(=O)NCCc3ccccc3)n2)c(OC)c1.
What is the InChIKey of 2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is GOXQMFWJRBIGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-28-17-8-9-18(20(14-17)29-2)19-10-11-22(27)25(24-19)15-21(26)23-13-12-16-6-4-3-5-7-16/h3-11,14H,12-13,15H2,1-2H3,(H,23,26).
What are the key properties of 2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide?
2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 393.44 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 7666583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).