N-(4,5-dimethoxy-2-methylphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide

C21H25NO5 — CID 4795117

IUPACN-(4,5-dimethoxy-2-methylphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
SMILESCOc1cc(C)c(NC(=O)COc2cccc3c2OC(C)(C)C3)cc1OC
InChIInChI=1S/C21H25NO5/c1-13-9-17(24-4)18(25-5)10-15(13)22-19(23)12-26-16-8-6-7-14-11-21(2,3)27-20(14)16/h6-10H,11-12H2,1-5H3,(H,22,23)
InChIKeyBOAYHOBGFNAXPT-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.74
Rot. Bonds6

About N-(4,5-dimethoxy-2-methylphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide

N-(4,5-dimethoxy-2-methylphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide (PubChem CID 4795117) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is N-(4,5-dimethoxy-2-methylphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(4,5-dimethoxy-2-methylphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
PubChem CID4795117
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC NameN-(4,5-dimethoxy-2-methylphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
SMILESCOc1cc(C)c(NC(=O)COc2cccc3c2OC(C)(C)C3)cc1OC
InChIInChI=1S/C21H25NO5/c1-13-9-17(24-4)18(25-5)10-15(13)22-19(23)12-26-16-8-6-7-14-11-21(2,3)27-20(14)16/h6-10H,11-12H2,1-5H3,(H,22,23)
InChIKeyBOAYHOBGFNAXPT-UHFFFAOYSA-N
XLogP3.74
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?
The IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide (CID 4795117) is N-(4,5-dimethoxy-2-methylphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide.
What is the SMILES notation for N-(4,5-dimethoxy-2-methylphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?
The canonical SMILES for N-(4,5-dimethoxy-2-methylphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide is COc1cc(C)c(NC(=O)COc2cccc3c2OC(C)(C)C3)cc1OC.
What is the InChIKey of N-(4,5-dimethoxy-2-methylphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?
The InChIKey is BOAYHOBGFNAXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-13-9-17(24-4)18(25-5)10-15(13)22-19(23)12-26-16-8-6-7-14-11-21(2,3)27-20(14)16/h6-10H,11-12H2,1-5H3,(H,22,23).
What are the key properties of N-(4,5-dimethoxy-2-methylphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?
N-(4,5-dimethoxy-2-methylphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide has a molecular weight of 371.43 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethoxy-2-methylphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide is sourced from PubChem (CID 4795117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).