N-cyclooctyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

C20H25N3O2 — CID 5053338

IUPACN-cyclooctyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)ccc1=O)NC1CCCCCCC1
InChIInChI=1S/C20H25N3O2/c24-19(21-17-11-7-2-1-3-8-12-17)15-23-20(25)14-13-18(22-23)16-9-5-4-6-10-16/h4-6,9-10,13-14,17H,1-3,7-8,11-12,15H2,(H,21,24)
InChIKeyDHMQWNXLKBFRRT-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.14
Rot. Bonds4

About N-cyclooctyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

N-cyclooctyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (PubChem CID 5053338) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-cyclooctyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
PubChem CID5053338
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-cyclooctyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)ccc1=O)NC1CCCCCCC1
InChIInChI=1S/C20H25N3O2/c24-19(21-17-11-7-2-1-3-8-12-17)15-23-20(25)14-13-18(22-23)16-9-5-4-6-10-16/h4-6,9-10,13-14,17H,1-3,7-8,11-12,15H2,(H,21,24)
InChIKeyDHMQWNXLKBFRRT-UHFFFAOYSA-N
XLogP3.14
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 3224412
1-cyclohexyl-3-[4-(6-oxo-3-phenylpyridazin-1-yl)butyl]urea
CID 13412562
N-(2,2-dimethyloxan-4-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 52995964
2-(6-oxo-3-phenylpyridazin-1-yl)-N-propan-2-ylacetamide
CID 5057313
N-cycloheptyl-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 20953606
1-cyclohexyl-3-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]thiourea
CID 12902608
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 51044347
N-[(2R)-oxan-2-yl]oxy-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 94824432
N-(1-benzylpiperidin-4-yl)-2-[3-(4-methylsulfanylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 53368776
2-[2-(azepan-1-yl)-2-oxoethyl]-6-phenylpyridazin-3-one
CID 7659649
N-cyclohexyl-2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide
CID 51054544
N-cyclohexyl-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 42763708

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The IUPAC name of N-cyclooctyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (CID 5053338) is N-cyclooctyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-cyclooctyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The canonical SMILES for N-cyclooctyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is O=C(Cn1nc(-c2ccccc2)ccc1=O)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The InChIKey is DHMQWNXLKBFRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c24-19(21-17-11-7-2-1-3-8-12-17)15-23-20(25)14-13-18(22-23)16-9-5-4-6-10-16/h4-6,9-10,13-14,17H,1-3,7-8,11-12,15H2,(H,21,24).
What are the key properties of N-cyclooctyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
N-cyclooctyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide has a molecular weight of 339.44 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is sourced from PubChem (CID 5053338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).