2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-ethylpyridazin-3-yl)-N-methylacetamide

C19H23N3O3 — CID 147393341

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-ethylpyridazin-3-yl)-N-methylacetamide
SMILESCCc1ccc(N(C)C(=O)COc2cccc3c2OC(C)(C)C3)nn1
InChIInChI=1S/C19H23N3O3/c1-5-14-9-10-16(21-20-14)22(4)17(23)12-24-15-8-6-7-13-11-19(2,3)25-18(13)15/h6-10H,5,11-12H2,1-4H3
InChIKeyDNHXQQVEPMSSKL-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.79
Rot. Bonds5

About 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-ethylpyridazin-3-yl)-N-methylacetamide

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-ethylpyridazin-3-yl)-N-methylacetamide (PubChem CID 147393341) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-ethylpyridazin-3-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-ethylpyridazin-3-yl)-N-methylacetamide
PubChem CID147393341
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-ethylpyridazin-3-yl)-N-methylacetamide
SMILESCCc1ccc(N(C)C(=O)COc2cccc3c2OC(C)(C)C3)nn1
InChIInChI=1S/C19H23N3O3/c1-5-14-9-10-16(21-20-14)22(4)17(23)12-24-15-8-6-7-13-11-19(2,3)25-18(13)15/h6-10H,5,11-12H2,1-4H3
InChIKeyDNHXQQVEPMSSKL-UHFFFAOYSA-N
XLogP2.79
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-ethylpyridazin-3-yl)-N-methylacetamide with MolForge

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Related Compounds

N-(6-chloropyridazin-3-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methylacetamide
CID 151909001
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N,N-di(propan-2-yl)acetamide
CID 8551057
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethyl-N-phenylacetamide
CID 8551594
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-methyl-2-pyridinyl)-N-[(5-methyl-2-pyridinyl)methyl]acetamide
CID 147799726
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N,N-bis(2-methylpropyl)acetamide
CID 8551074
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-5-ethyl-1,3,4-oxadiazole
CID 138998581
N-cyclopropyl-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(pyridin-4-ylmethyl)acetamide
CID 55412313
ethyl 5-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 8863733
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-ethylphenyl)acetamide
CID 26697232
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-3-methylbut-2-enoic acid
CID 77005442
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8950432
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-(furan-2-yl)ethanone
CID 43412852

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-ethylpyridazin-3-yl)-N-methylacetamide?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-ethylpyridazin-3-yl)-N-methylacetamide (CID 147393341) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-ethylpyridazin-3-yl)-N-methylacetamide.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-ethylpyridazin-3-yl)-N-methylacetamide?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-ethylpyridazin-3-yl)-N-methylacetamide is CCc1ccc(N(C)C(=O)COc2cccc3c2OC(C)(C)C3)nn1.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-ethylpyridazin-3-yl)-N-methylacetamide?
The InChIKey is DNHXQQVEPMSSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-5-14-9-10-16(21-20-14)22(4)17(23)12-24-15-8-6-7-13-11-19(2,3)25-18(13)15/h6-10H,5,11-12H2,1-4H3.
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-ethylpyridazin-3-yl)-N-methylacetamide?
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-ethylpyridazin-3-yl)-N-methylacetamide has a molecular weight of 341.41 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(6-ethylpyridazin-3-yl)-N-methylacetamide is sourced from PubChem (CID 147393341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).