2-ethoxy-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzamide

C23H25N3O4 — CID 18589577

IUPAC2-ethoxy-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzamide
SMILESCCOc1ccc(-c2ccc(OCCNC(=O)c3ccccc3OCC)nn2)cc1
InChIInChI=1S/C23H25N3O4/c1-3-28-18-11-9-17(10-12-18)20-13-14-22(26-25-20)30-16-15-24-23(27)19-7-5-6-8-21(19)29-4-2/h5-14H,3-4,15-16H2,1-2H3,(H,24,27)
InChIKeyJENVFZBZTRKTNG-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.75
Rot. Bonds10

About 2-ethoxy-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzamide

2-ethoxy-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzamide (PubChem CID 18589577) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-ethoxy-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzamide
PubChem CID18589577
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name2-ethoxy-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzamide
SMILESCCOc1ccc(-c2ccc(OCCNC(=O)c3ccccc3OCC)nn2)cc1
InChIInChI=1S/C23H25N3O4/c1-3-28-18-11-9-17(10-12-18)20-13-14-22(26-25-20)30-16-15-24-23(27)19-7-5-6-8-21(19)29-4-2/h5-14H,3-4,15-16H2,1-2H3,(H,24,27)
InChIKeyJENVFZBZTRKTNG-UHFFFAOYSA-N
XLogP3.75
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.75
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

2-ethoxy-N-[2-(4-ethoxyphenoxy)ethyl]benzamide
CID 27853054
2-ethoxy-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzamide
CID 41246633
4-chloro-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzamide
CID 18589564
N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzamide
CID 26845120
2-ethoxy-N-[2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethyl]benzamide
CID 42109222
2-ethoxy-N-[3-(6-ethoxypyridazin-3-yl)phenyl]benzamide
CID 7593638
2-ethoxy-N-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethyl]acetamide
CID 18589538
2-ethoxy-N-(2-hydroxyethyl)benzamide
CID 4088522
N-(3-aminobutyl)-2-ethoxybenzamide
CID 63253543
2-ethoxy-N-[3-(2-methylpropoxy)propyl]benzamide
CID 134042472
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-ethoxybenzamide
CID 30350403
N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-methoxybenzenesulfonamide
CID 41246477

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzamide?
The IUPAC name of 2-ethoxy-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzamide (CID 18589577) is 2-ethoxy-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzamide is CCOc1ccc(-c2ccc(OCCNC(=O)c3ccccc3OCC)nn2)cc1.
What is the InChIKey of 2-ethoxy-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzamide?
The InChIKey is JENVFZBZTRKTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-3-28-18-11-9-17(10-12-18)20-13-14-22(26-25-20)30-16-15-24-23(27)19-7-5-6-8-21(19)29-4-2/h5-14H,3-4,15-16H2,1-2H3,(H,24,27).
What are the key properties of 2-ethoxy-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzamide?
2-ethoxy-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzamide has a molecular weight of 407.47 g/mol, XLogP of 3.75, 10 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-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzamide is sourced from PubChem (CID 18589577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).