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

C22H23N3O3 — CID 27655848

IUPAC2-ethoxy-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCOc1ccc(-c2ccc(C)cc2)nn1
InChIInChI=1S/C22H23N3O3/c1-3-27-20-7-5-4-6-18(20)22(26)23-14-15-28-21-13-12-19(24-25-21)17-10-8-16(2)9-11-17/h4-13H,3,14-15H2,1-2H3,(H,23,26)
InChIKeyCTJUODBSZGPKSU-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.66
Rot. Bonds8

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

2-ethoxy-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzamide (PubChem CID 27655848) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-ethoxy-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzamide
PubChem CID27655848
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name2-ethoxy-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCCOc1ccc(-c2ccc(C)cc2)nn1
InChIInChI=1S/C22H23N3O3/c1-3-27-20-7-5-4-6-18(20)22(26)23-14-15-28-21-13-12-19(24-25-21)17-10-8-16(2)9-11-17/h4-13H,3,14-15H2,1-2H3,(H,23,26)
InChIKeyCTJUODBSZGPKSU-UHFFFAOYSA-N
XLogP3.66
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzamide?
The IUPAC name of 2-ethoxy-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzamide (CID 27655848) is 2-ethoxy-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzamide is CCOc1ccccc1C(=O)NCCOc1ccc(-c2ccc(C)cc2)nn1.
What is the InChIKey of 2-ethoxy-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzamide?
The InChIKey is CTJUODBSZGPKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-3-27-20-7-5-4-6-18(20)22(26)23-14-15-28-21-13-12-19(24-25-21)17-10-8-16(2)9-11-17/h4-13H,3,14-15H2,1-2H3,(H,23,26).
What are the key properties of 2-ethoxy-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzamide?
2-ethoxy-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzamide has a molecular weight of 377.44 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzamide is sourced from PubChem (CID 27655848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).