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

C21H25NO6 — CID 4827244

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)COc2cccc3c2OC(C)(C)C3)cc(OC)c1OC
InChIInChI=1S/C21H25NO6/c1-21(2)11-13-7-6-8-15(19(13)28-21)27-12-18(23)22-14-9-16(24-3)20(26-5)17(10-14)25-4/h6-10H,11-12H2,1-5H3,(H,22,23)
InChIKeyAZYYPGUDHGSGSY-UHFFFAOYSA-N
MW387.43 g/mol
LogP3.44
Rot. Bonds7

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

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 4827244) has the molecular formula C21H25NO6 and a molecular weight of 387.43 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID4827244
Molecular FormulaC21H25NO6
Molecular Weight387.43 g/mol
Exact Mass387.17
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)COc2cccc3c2OC(C)(C)C3)cc(OC)c1OC
InChIInChI=1S/C21H25NO6/c1-21(2)11-13-7-6-8-15(19(13)28-21)27-12-18(23)22-14-9-16(24-3)20(26-5)17(10-14)25-4/h6-10H,11-12H2,1-5H3,(H,22,23)
InChIKeyAZYYPGUDHGSGSY-UHFFFAOYSA-N
XLogP3.44
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 53.44
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-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(3,4,5-trimethoxyphenyl)acetamide (CID 4827244) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)COc2cccc3c2OC(C)(C)C3)cc(OC)c1OC.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is AZYYPGUDHGSGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO6/c1-21(2)11-13-7-6-8-15(19(13)28-21)27-12-18(23)22-14-9-16(24-3)20(26-5)17(10-14)25-4/h6-10H,11-12H2,1-5H3,(H,22,23).
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(3,4,5-trimethoxyphenyl)acetamide?
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 387.43 g/mol, XLogP of 3.44, 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-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 4827244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).