2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-ethylphenyl)acetamide

C20H23NO3 — CID 26697232

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)COc2cccc3c2OC(C)(C)C3)cc1
InChIInChI=1S/C20H23NO3/c1-4-14-8-10-16(11-9-14)21-18(22)13-23-17-7-5-6-15-12-20(2,3)24-19(15)17/h5-11H,4,12-13H2,1-3H3,(H,21,22)
InChIKeyMCHFDOGJAZGYGB-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.98
Rot. Bonds5

About 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-ethylphenyl)acetamide

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-ethylphenyl)acetamide (PubChem CID 26697232) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-ethylphenyl)acetamide
PubChem CID26697232
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)COc2cccc3c2OC(C)(C)C3)cc1
InChIInChI=1S/C20H23NO3/c1-4-14-8-10-16(11-9-14)21-18(22)13-23-17-7-5-6-15-12-20(2,3)24-19(15)17/h5-11H,4,12-13H2,1-3H3,(H,21,22)
InChIKeyMCHFDOGJAZGYGB-UHFFFAOYSA-N
XLogP3.98
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-methylphenyl)acetamide
CID 7899894
N-(4-bromophenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 7946386
dimethyl 5-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]benzene-1,3-dicarboxylate
CID 7959511
N-(2,3-dihydro-1H-inden-5-yl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 16550540
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7918195
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(2-methylphenyl)acetamide
CID 18074370
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
CID 7855699
N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 90551468
N-(2,3-dichlorophenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 8864084
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
CID 42965226
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 121036783
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 90564912

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-ethylphenyl)acetamide (CID 26697232) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)COc2cccc3c2OC(C)(C)C3)cc1.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-ethylphenyl)acetamide?
The InChIKey is MCHFDOGJAZGYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-4-14-8-10-16(11-9-14)21-18(22)13-23-17-7-5-6-15-12-20(2,3)24-19(15)17/h5-11H,4,12-13H2,1-3H3,(H,21,22).
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-ethylphenyl)acetamide?
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-ethylphenyl)acetamide has a molecular weight of 325.41 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 26697232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).