2-ethoxy-N-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethyl]acetamide

C17H21N3O4 — CID 18589538

IUPAC2-ethoxy-N-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethyl]acetamide
SMILESCCOCC(=O)NCCOc1ccc(-c2ccc(OC)cc2)nn1
InChIInChI=1S/C17H21N3O4/c1-3-23-12-16(21)18-10-11-24-17-9-8-15(19-20-17)13-4-6-14(22-2)7-5-13/h4-9H,3,10-12H2,1-2H3,(H,18,21)
InChIKeyDSYARKIWUVYAGP-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.68
Rot. Bonds9

About 2-ethoxy-N-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethyl]acetamide

2-ethoxy-N-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethyl]acetamide (PubChem CID 18589538) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-ethoxy-N-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethyl]acetamide
PubChem CID18589538
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name2-ethoxy-N-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethyl]acetamide
SMILESCCOCC(=O)NCCOc1ccc(-c2ccc(OC)cc2)nn1
InChIInChI=1S/C17H21N3O4/c1-3-23-12-16(21)18-10-11-24-17-9-8-15(19-20-17)13-4-6-14(22-2)7-5-13/h4-9H,3,10-12H2,1-2H3,(H,18,21)
InChIKeyDSYARKIWUVYAGP-UHFFFAOYSA-N
XLogP1.68
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-methoxyphenyl)-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]propanamide
CID 18589523
N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-methoxybenzenesulfonamide
CID 41246477
4-chloro-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzamide
CID 18589564
2-(3,4-dimethoxyphenyl)-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]acetamide
CID 26845125
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]acetamide
CID 121050363
2-ethoxy-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzamide
CID 18589577
N-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26845169
2,2,2-trifluoro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]acetamide
CID 18589518
N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]cyclopropanecarboxamide
CID 18589504
4-methoxy-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 27443621
2-ethoxy-N-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 142043664
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 27913717

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethyl]acetamide?
The IUPAC name of 2-ethoxy-N-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethyl]acetamide (CID 18589538) is 2-ethoxy-N-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethyl]acetamide is CCOCC(=O)NCCOc1ccc(-c2ccc(OC)cc2)nn1.
What is the InChIKey of 2-ethoxy-N-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethyl]acetamide?
The InChIKey is DSYARKIWUVYAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-3-23-12-16(21)18-10-11-24-17-9-8-15(19-20-17)13-4-6-14(22-2)7-5-13/h4-9H,3,10-12H2,1-2H3,(H,18,21).
What are the key properties of 2-ethoxy-N-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethyl]acetamide?
2-ethoxy-N-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethyl]acetamide has a molecular weight of 331.37 g/mol, XLogP of 1.68, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethyl]acetamide is sourced from PubChem (CID 18589538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).