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

C17H18N2O3 — CID 2525240

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-pyridin-3-ylacetamide
SMILESCC1(C)Cc2cccc(OCC(=O)Nc3cccnc3)c2O1
InChIInChI=1S/C17H18N2O3/c1-17(2)9-12-5-3-7-14(16(12)22-17)21-11-15(20)19-13-6-4-8-18-10-13/h3-8,10H,9,11H2,1-2H3,(H,19,20)
InChIKeyMKCKLQRGSCOFLW-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.81
Rot. Bonds4

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

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-pyridin-3-ylacetamide (PubChem CID 2525240) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-pyridin-3-ylacetamide
PubChem CID2525240
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-pyridin-3-ylacetamide
SMILESCC1(C)Cc2cccc(OCC(=O)Nc3cccnc3)c2O1
InChIInChI=1S/C17H18N2O3/c1-17(2)9-12-5-3-7-14(16(12)22-17)21-11-15(20)19-13-6-4-8-18-10-13/h3-8,10H,9,11H2,1-2H3,(H,19,20)
InChIKeyMKCKLQRGSCOFLW-UHFFFAOYSA-N
XLogP2.81
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-pyridin-3-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-pyridin-3-ylacetamide (CID 2525240) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-pyridin-3-ylacetamide is CC1(C)Cc2cccc(OCC(=O)Nc3cccnc3)c2O1.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-pyridin-3-ylacetamide?
The InChIKey is MKCKLQRGSCOFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-17(2)9-12-5-3-7-14(16(12)22-17)21-11-15(20)19-13-6-4-8-18-10-13/h3-8,10H,9,11H2,1-2H3,(H,19,20).
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-pyridin-3-ylacetamide?
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-pyridin-3-ylacetamide has a molecular weight of 298.34 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 2525240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).