2-[4-(2-ethylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide

C22H29N3O3 — CID 170368436

IUPAC2-[4-(2-ethylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide
SMILESCCc1ccccc1-c1cc(=O)n(CC(=O)NC2CC(C)(O)C2)nc1C(C)C
InChIInChI=1S/C22H29N3O3/c1-5-15-8-6-7-9-17(15)18-10-20(27)25(24-21(18)14(2)3)13-19(26)23-16-11-22(4,28)12-16/h6-10,14,16,28H,5,11-13H2,1-4H3,(H,23,26)
InChIKeyNPASQMQKHCBFRM-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.63
Rot. Bonds6

About 2-[4-(2-ethylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide

2-[4-(2-ethylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide (PubChem CID 170368436) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-[4-(2-ethylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-ethylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide
PubChem CID170368436
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name2-[4-(2-ethylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide
SMILESCCc1ccccc1-c1cc(=O)n(CC(=O)NC2CC(C)(O)C2)nc1C(C)C
InChIInChI=1S/C22H29N3O3/c1-5-15-8-6-7-9-17(15)18-10-20(27)25(24-21(18)14(2)3)13-19(26)23-16-11-22(4,28)12-16/h6-10,14,16,28H,5,11-13H2,1-4H3,(H,23,26)
InChIKeyNPASQMQKHCBFRM-UHFFFAOYSA-N
XLogP2.63
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide?
The IUPAC name of 2-[4-(2-ethylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide (CID 170368436) is 2-[4-(2-ethylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide.
What is the SMILES notation for 2-[4-(2-ethylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide?
The canonical SMILES for 2-[4-(2-ethylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide is CCc1ccccc1-c1cc(=O)n(CC(=O)NC2CC(C)(O)C2)nc1C(C)C.
What is the InChIKey of 2-[4-(2-ethylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide?
The InChIKey is NPASQMQKHCBFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-5-15-8-6-7-9-17(15)18-10-20(27)25(24-21(18)14(2)3)13-19(26)23-16-11-22(4,28)12-16/h6-10,14,16,28H,5,11-13H2,1-4H3,(H,23,26).
What are the key properties of 2-[4-(2-ethylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide?
2-[4-(2-ethylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide has a molecular weight of 383.49 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide is sourced from PubChem (CID 170368436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).