N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-phenoxyacetamide

C20H19N3O3 — CID 7422517

IUPACN-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-phenoxyacetamide
SMILESCCOc1ccc(-c2cccc(NC(=O)COc3ccccc3)c2)nn1
InChIInChI=1S/C20H19N3O3/c1-2-25-20-12-11-18(22-23-20)15-7-6-8-16(13-15)21-19(24)14-26-17-9-4-3-5-10-17/h3-13H,2,14H2,1H3,(H,21,24)
InChIKeyJSIUHTWFIVWMKC-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.56
Rot. Bonds7

About N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-phenoxyacetamide

N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-phenoxyacetamide (PubChem CID 7422517) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-phenoxyacetamide
PubChem CID7422517
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-phenoxyacetamide
SMILESCCOc1ccc(-c2cccc(NC(=O)COc3ccccc3)c2)nn1
InChIInChI=1S/C20H19N3O3/c1-2-25-20-12-11-18(22-23-20)15-7-6-8-16(13-15)21-19(24)14-26-17-9-4-3-5-10-17/h3-13H,2,14H2,1H3,(H,21,24)
InChIKeyJSIUHTWFIVWMKC-UHFFFAOYSA-N
XLogP3.56
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-phenoxyacetamide (CID 7422517) is N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-phenoxyacetamide is CCOc1ccc(-c2cccc(NC(=O)COc3ccccc3)c2)nn1.
What is the InChIKey of N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-phenoxyacetamide?
The InChIKey is JSIUHTWFIVWMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-2-25-20-12-11-18(22-23-20)15-7-6-8-16(13-15)21-19(24)14-26-17-9-4-3-5-10-17/h3-13H,2,14H2,1H3,(H,21,24).
What are the key properties of N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-phenoxyacetamide?
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-phenoxyacetamide has a molecular weight of 349.39 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 7422517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).