2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide

C22H24N4O3 — CID 71807949

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide
SMILESCC1(C)Cc2cccc(OCC(=O)NCCn3ccc(-c4ccccn4)n3)c2O1
InChIInChI=1S/C22H24N4O3/c1-22(2)14-16-6-5-8-19(21(16)29-22)28-15-20(27)24-11-13-26-12-9-18(25-26)17-7-3-4-10-23-17/h3-10,12H,11,13-15H2,1-2H3,(H,24,27)
InChIKeyYKABTSVUPZLDSD-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.85
Rot. Bonds7

About 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide (PubChem CID 71807949) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide
PubChem CID71807949
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide
SMILESCC1(C)Cc2cccc(OCC(=O)NCCn3ccc(-c4ccccn4)n3)c2O1
InChIInChI=1S/C22H24N4O3/c1-22(2)14-16-6-5-8-19(21(16)29-22)28-15-20(27)24-11-13-26-12-9-18(25-26)17-7-3-4-10-23-17/h3-10,12H,11,13-15H2,1-2H3,(H,24,27)
InChIKeyYKABTSVUPZLDSD-UHFFFAOYSA-N
XLogP2.85
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide (CID 71807949) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide is CC1(C)Cc2cccc(OCC(=O)NCCn3ccc(-c4ccccn4)n3)c2O1.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide?
The InChIKey is YKABTSVUPZLDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-22(2)14-16-6-5-8-19(21(16)29-22)28-15-20(27)24-11-13-26-12-9-18(25-26)17-7-3-4-10-23-17/h3-10,12H,11,13-15H2,1-2H3,(H,24,27).
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide?
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide has a molecular weight of 392.46 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 71807949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).