2-[4-butan-2-yl-2-(2-methylbutan-2-yl)phenoxy]-N-(6-cyanopyridazin-3-yl)acetamide;ethane

C24H34N4O2 — CID 143030582

IUPAC2-[4-butan-2-yl-2-(2-methylbutan-2-yl)phenoxy]-N-(6-cyanopyridazin-3-yl)acetamide;ethane
SMILESCC.CCC(C)c1ccc(OCC(=O)Nc2ccc(C#N)nn2)c(C(C)(C)CC)c1
InChIInChI=1S/C22H28N4O2.C2H6/c1-6-15(3)16-8-10-19(18(12-16)22(4,5)7-2)28-14-21(27)24-20-11-9-17(13-23)25-26-20;1-2/h8-12,15H,6-7,14H2,1-5H3,(H,24,26,27);1-2H3
InChIKeyNYDMMHNWIUUPOB-UHFFFAOYSA-N
MW410.56 g/mol
LogP5.59
Rot. Bonds8

About 2-[4-butan-2-yl-2-(2-methylbutan-2-yl)phenoxy]-N-(6-cyanopyridazin-3-yl)acetamide;ethane

2-[4-butan-2-yl-2-(2-methylbutan-2-yl)phenoxy]-N-(6-cyanopyridazin-3-yl)acetamide;ethane (PubChem CID 143030582) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is 2-[4-butan-2-yl-2-(2-methylbutan-2-yl)phenoxy]-N-(6-cyanopyridazin-3-yl)acetamide;ethane.

Molecular Properties

Compound Name2-[4-butan-2-yl-2-(2-methylbutan-2-yl)phenoxy]-N-(6-cyanopyridazin-3-yl)acetamide;ethane
PubChem CID143030582
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC Name2-[4-butan-2-yl-2-(2-methylbutan-2-yl)phenoxy]-N-(6-cyanopyridazin-3-yl)acetamide;ethane
SMILESCC.CCC(C)c1ccc(OCC(=O)Nc2ccc(C#N)nn2)c(C(C)(C)CC)c1
InChIInChI=1S/C22H28N4O2.C2H6/c1-6-15(3)16-8-10-19(18(12-16)22(4,5)7-2)28-14-21(27)24-20-11-9-17(13-23)25-26-20;1-2/h8-12,15H,6-7,14H2,1-5H3,(H,24,26,27);1-2H3
InChIKeyNYDMMHNWIUUPOB-UHFFFAOYSA-N
XLogP5.59
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.56
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-butan-2-yl-2-(2-methylbutan-2-yl)phenoxy]-N-(6-cyanopyridazin-3-yl)acetamide;ethane with MolForge

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Related Compounds

2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(6-isocyanopyridazin-3-yl)acetamide
CID 58892697
4-[[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]acetyl]amino]benzoyl cyanide
CID 56698539
N-[4-[(2S)-butan-2-yl]phenyl]-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7671033
2-[4-butan-2-yl-2-(2-methylbutan-2-yl)phenoxy]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide
CID 143030549
2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 17189592
2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-(2-ethoxyethoxy)phenyl]acetamide
CID 17189618
2-(2-bromo-4-butan-2-ylphenoxy)-N-(2-bromophenyl)acetamide
CID 17189524
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-iodophenyl)acetamide
CID 1336727
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 918574
2-(2-bromo-4-butan-2-ylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 17189496
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2-fluoro-4-iodophenyl)acetamide
CID 2210153
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-(2-methylphenyl)acetamide
CID 3587302

Frequently Asked Questions

What is the IUPAC name of 2-[4-butan-2-yl-2-(2-methylbutan-2-yl)phenoxy]-N-(6-cyanopyridazin-3-yl)acetamide;ethane?
The IUPAC name of 2-[4-butan-2-yl-2-(2-methylbutan-2-yl)phenoxy]-N-(6-cyanopyridazin-3-yl)acetamide;ethane (CID 143030582) is 2-[4-butan-2-yl-2-(2-methylbutan-2-yl)phenoxy]-N-(6-cyanopyridazin-3-yl)acetamide;ethane.
What is the SMILES notation for 2-[4-butan-2-yl-2-(2-methylbutan-2-yl)phenoxy]-N-(6-cyanopyridazin-3-yl)acetamide;ethane?
The canonical SMILES for 2-[4-butan-2-yl-2-(2-methylbutan-2-yl)phenoxy]-N-(6-cyanopyridazin-3-yl)acetamide;ethane is CC.CCC(C)c1ccc(OCC(=O)Nc2ccc(C#N)nn2)c(C(C)(C)CC)c1.
What is the InChIKey of 2-[4-butan-2-yl-2-(2-methylbutan-2-yl)phenoxy]-N-(6-cyanopyridazin-3-yl)acetamide;ethane?
The InChIKey is NYDMMHNWIUUPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2.C2H6/c1-6-15(3)16-8-10-19(18(12-16)22(4,5)7-2)28-14-21(27)24-20-11-9-17(13-23)25-26-20;1-2/h8-12,15H,6-7,14H2,1-5H3,(H,24,26,27);1-2H3.
What are the key properties of 2-[4-butan-2-yl-2-(2-methylbutan-2-yl)phenoxy]-N-(6-cyanopyridazin-3-yl)acetamide;ethane?
2-[4-butan-2-yl-2-(2-methylbutan-2-yl)phenoxy]-N-(6-cyanopyridazin-3-yl)acetamide;ethane has a molecular weight of 410.56 g/mol, XLogP of 5.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-butan-2-yl-2-(2-methylbutan-2-yl)phenoxy]-N-(6-cyanopyridazin-3-yl)acetamide;ethane is sourced from PubChem (CID 143030582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).