2-(3,5-dimethylphenoxy)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide

C24H26N4O3 — CID 43992745

IUPAC2-(3,5-dimethylphenoxy)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2ccc(-c3ccc(N4CCOCC4)nn3)cc2)c1
InChIInChI=1S/C24H26N4O3/c1-17-13-18(2)15-21(14-17)31-16-24(29)25-20-5-3-19(4-6-20)22-7-8-23(27-26-22)28-9-11-30-12-10-28/h3-8,13-15H,9-12,16H2,1-2H3,(H,25,29)
InChIKeyYLXWXKPVEPBIPD-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.61
Rot. Bonds6

About 2-(3,5-dimethylphenoxy)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide

2-(3,5-dimethylphenoxy)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide (PubChem CID 43992745) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide
PubChem CID43992745
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name2-(3,5-dimethylphenoxy)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2ccc(-c3ccc(N4CCOCC4)nn3)cc2)c1
InChIInChI=1S/C24H26N4O3/c1-17-13-18(2)15-21(14-17)31-16-24(29)25-20-5-3-19(4-6-20)22-7-8-23(27-26-22)28-9-11-30-12-10-28/h3-8,13-15H,9-12,16H2,1-2H3,(H,25,29)
InChIKeyYLXWXKPVEPBIPD-UHFFFAOYSA-N
XLogP3.61
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methylphenoxy)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide
CID 43992749
2-(3-methylphenyl)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide
CID 7593368
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3,5-dimethoxyphenoxy)acetamide
CID 43992220
2-(3,4-dimethylphenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43992474
N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 43992652
2-(4-acetamidophenoxy)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43992887
2-(2-methoxyphenyl)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide
CID 43992796
2-(4-fluorophenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43992502
2-(4-ethylphenoxy)-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43992634
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(4-tert-butylphenoxy)acetamide
CID 43992204
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(1,3-benzodioxol-5-yloxy)acetamide
CID 43992237
2-(2,4-dimethylphenoxy)-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43992358

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide (CID 43992745) is 2-(3,5-dimethylphenoxy)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide is Cc1cc(C)cc(OCC(=O)Nc2ccc(-c3ccc(N4CCOCC4)nn3)cc2)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide?
The InChIKey is YLXWXKPVEPBIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-17-13-18(2)15-21(14-17)31-16-24(29)25-20-5-3-19(4-6-20)22-7-8-23(27-26-22)28-9-11-30-12-10-28/h3-8,13-15H,9-12,16H2,1-2H3,(H,25,29).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide?
2-(3,5-dimethylphenoxy)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide has a molecular weight of 418.50 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide is sourced from PubChem (CID 43992745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).