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

C22H27NO5 — CID 90598050

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1C(CNC(=O)COc1cccc2c1OC(C)(C)C2)OC
InChIInChI=1S/C22H27NO5/c1-22(2)12-15-8-7-11-18(21(15)28-22)27-14-20(24)23-13-19(26-4)16-9-5-6-10-17(16)25-3/h5-11,19H,12-14H2,1-4H3,(H,23,24)
InChIKeyIGKXXHMOCYANQT-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.29
Rot. Bonds8

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

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 90598050) has the molecular formula C22H27NO5 and a molecular weight of 385.46 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]acetamide
PubChem CID90598050
Molecular FormulaC22H27NO5
Molecular Weight385.46 g/mol
Exact Mass385.19
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1C(CNC(=O)COc1cccc2c1OC(C)(C)C2)OC
InChIInChI=1S/C22H27NO5/c1-22(2)12-15-8-7-11-18(21(15)28-22)27-14-20(24)23-13-19(26-4)16-9-5-6-10-17(16)25-3/h5-11,19H,12-14H2,1-4H3,(H,23,24)
InChIKeyIGKXXHMOCYANQT-UHFFFAOYSA-N
XLogP3.29
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-(2-methylphenoxy)acetamide
CID 90597971
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(3-phenylpropyl)acetamide
CID 8551560
2-(2-fluorophenoxy)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]acetamide
CID 90597980
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide
CID 129358023
N-[(2,6-difluorophenyl)methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 8551831
2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]ethyl-dimethylazanium
CID 7858818
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]acetamide
CID 72719917
N-[(2-chlorophenyl)methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 9165272
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 30178068
N-[2-(2-chlorophenoxy)ethyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 4918924
N-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]but-2-ynyl]-2-(2-methylphenoxy)acetamide
CID 90578518
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(2-methylphenyl)acetamide
CID 18074370

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]acetamide (CID 90598050) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1C(CNC(=O)COc1cccc2c1OC(C)(C)C2)OC.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is IGKXXHMOCYANQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO5/c1-22(2)12-15-8-7-11-18(21(15)28-22)27-14-20(24)23-13-19(26-4)16-9-5-6-10-17(16)25-3/h5-11,19H,12-14H2,1-4H3,(H,23,24).
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]acetamide?
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 385.46 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 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-[2-methoxy-2-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 90598050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).