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

C20H23NO5 — CID 4795598

IUPACN-(2,4-dimethoxyphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
SMILESCOc1ccc(NC(=O)COc2cccc3c2OC(C)(C)C3)c(OC)c1
InChIInChI=1S/C20H23NO5/c1-20(2)11-13-6-5-7-16(19(13)26-20)25-12-18(22)21-15-9-8-14(23-3)10-17(15)24-4/h5-10H,11-12H2,1-4H3,(H,21,22)
InChIKeyXASODJRXOMDFDU-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.43
Rot. Bonds6

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

N-(2,4-dimethoxyphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide (PubChem CID 4795598) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
PubChem CID4795598
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
SMILESCOc1ccc(NC(=O)COc2cccc3c2OC(C)(C)C3)c(OC)c1
InChIInChI=1S/C20H23NO5/c1-20(2)11-13-6-5-7-16(19(13)26-20)25-12-18(22)21-15-9-8-14(23-3)10-17(15)24-4/h5-10H,11-12H2,1-4H3,(H,21,22)
InChIKeyXASODJRXOMDFDU-UHFFFAOYSA-N
XLogP3.43
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide (CID 4795598) is N-(2,4-dimethoxyphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide is COc1ccc(NC(=O)COc2cccc3c2OC(C)(C)C3)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?
The InChIKey is XASODJRXOMDFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-20(2)11-13-6-5-7-16(19(13)26-20)25-12-18(22)21-15-9-8-14(23-3)10-17(15)24-4/h5-10H,11-12H2,1-4H3,(H,21,22).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?
N-(2,4-dimethoxyphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide has a molecular weight of 357.41 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide is sourced from PubChem (CID 4795598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).