2-(3-ethoxy-6-oxo-4-phenylpyridazin-1-yl)-N-(3-hydroxy-3-methylcyclobutyl)acetamide

C19H23N3O4 — CID 162432217

IUPAC2-(3-ethoxy-6-oxo-4-phenylpyridazin-1-yl)-N-(3-hydroxy-3-methylcyclobutyl)acetamide
SMILESCCOc1nn(CC(=O)NC2CC(C)(O)C2)c(=O)cc1-c1ccccc1
InChIInChI=1S/C19H23N3O4/c1-3-26-18-15(13-7-5-4-6-8-13)9-17(24)22(21-18)12-16(23)20-14-10-19(2,25)11-14/h4-9,14,25H,3,10-12H2,1-2H3,(H,20,23)
InChIKeyMGDUGCNMVFIRHB-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.34
Rot. Bonds6

About 2-(3-ethoxy-6-oxo-4-phenylpyridazin-1-yl)-N-(3-hydroxy-3-methylcyclobutyl)acetamide

2-(3-ethoxy-6-oxo-4-phenylpyridazin-1-yl)-N-(3-hydroxy-3-methylcyclobutyl)acetamide (PubChem CID 162432217) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-(3-ethoxy-6-oxo-4-phenylpyridazin-1-yl)-N-(3-hydroxy-3-methylcyclobutyl)acetamide.

Molecular Properties

Compound Name2-(3-ethoxy-6-oxo-4-phenylpyridazin-1-yl)-N-(3-hydroxy-3-methylcyclobutyl)acetamide
PubChem CID162432217
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name2-(3-ethoxy-6-oxo-4-phenylpyridazin-1-yl)-N-(3-hydroxy-3-methylcyclobutyl)acetamide
SMILESCCOc1nn(CC(=O)NC2CC(C)(O)C2)c(=O)cc1-c1ccccc1
InChIInChI=1S/C19H23N3O4/c1-3-26-18-15(13-7-5-4-6-8-13)9-17(24)22(21-18)12-16(23)20-14-10-19(2,25)11-14/h4-9,14,25H,3,10-12H2,1-2H3,(H,20,23)
InChIKeyMGDUGCNMVFIRHB-UHFFFAOYSA-N
XLogP1.34
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 170368572
CID 170368572
CID 162432189
CID 162432189
CID 162432200
CID 162432200
CID 162432261
CID 162432261
CID 162432294
CID 162432294
CID 91938948
CID 91938948
CID 91938949
CID 91938949

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-6-oxo-4-phenylpyridazin-1-yl)-N-(3-hydroxy-3-methylcyclobutyl)acetamide?
The IUPAC name of 2-(3-ethoxy-6-oxo-4-phenylpyridazin-1-yl)-N-(3-hydroxy-3-methylcyclobutyl)acetamide (CID 162432217) is 2-(3-ethoxy-6-oxo-4-phenylpyridazin-1-yl)-N-(3-hydroxy-3-methylcyclobutyl)acetamide.
What is the SMILES notation for 2-(3-ethoxy-6-oxo-4-phenylpyridazin-1-yl)-N-(3-hydroxy-3-methylcyclobutyl)acetamide?
The canonical SMILES for 2-(3-ethoxy-6-oxo-4-phenylpyridazin-1-yl)-N-(3-hydroxy-3-methylcyclobutyl)acetamide is CCOc1nn(CC(=O)NC2CC(C)(O)C2)c(=O)cc1-c1ccccc1.
What is the InChIKey of 2-(3-ethoxy-6-oxo-4-phenylpyridazin-1-yl)-N-(3-hydroxy-3-methylcyclobutyl)acetamide?
The InChIKey is MGDUGCNMVFIRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-3-26-18-15(13-7-5-4-6-8-13)9-17(24)22(21-18)12-16(23)20-14-10-19(2,25)11-14/h4-9,14,25H,3,10-12H2,1-2H3,(H,20,23).
What are the key properties of 2-(3-ethoxy-6-oxo-4-phenylpyridazin-1-yl)-N-(3-hydroxy-3-methylcyclobutyl)acetamide?
2-(3-ethoxy-6-oxo-4-phenylpyridazin-1-yl)-N-(3-hydroxy-3-methylcyclobutyl)acetamide has a molecular weight of 357.41 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-6-oxo-4-phenylpyridazin-1-yl)-N-(3-hydroxy-3-methylcyclobutyl)acetamide is sourced from PubChem (CID 162432217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).