N-(4-acetamidophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide

C20H20N2O4 — CID 8701405

IUPACN-(4-acetamidophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCCOc1ccc2oc(C(=O)Nc3ccc(NC(C)=O)cc3)c(C)c2c1
InChIInChI=1S/C20H20N2O4/c1-4-25-16-9-10-18-17(11-16)12(2)19(26-18)20(24)22-15-7-5-14(6-8-15)21-13(3)23/h5-11H,4H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyXRXHVCOAYYGXMG-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.35
Rot. Bonds5

About N-(4-acetamidophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide

N-(4-acetamidophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 8701405) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
PubChem CID8701405
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC NameN-(4-acetamidophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCCOc1ccc2oc(C(=O)Nc3ccc(NC(C)=O)cc3)c(C)c2c1
InChIInChI=1S/C20H20N2O4/c1-4-25-16-9-10-18-17(11-16)12(2)19(26-18)20(24)22-15-7-5-14(6-8-15)21-13(3)23/h5-11H,4H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyXRXHVCOAYYGXMG-UHFFFAOYSA-N
XLogP4.35
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 9073189
5-bromo-N-(4-ethoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 3601277
5-ethoxy-3-methyl-N-(4-piperidin-1-ylphenyl)-1-benzofuran-2-carboxamide
CID 8892336
5-ethoxy-N-(3-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 9072285
N-[4-(4-ethoxyphenoxy)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 7925267
N-(2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8909222
N-(2-chloro-4-methylphenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8885848
N-[4-(2-hydroxyethyl)phenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 110922986
5-ethyl-3-methyl-N-(4-pentoxyphenyl)-1-benzofuran-2-carboxamide
CID 19241097
5-methoxy-3-methyl-N-[4-(methylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 8700218
5-(fluoromethoxy)-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 91498486
N-(3,5-dimethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 7959819

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide (CID 8701405) is N-(4-acetamidophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide is CCOc1ccc2oc(C(=O)Nc3ccc(NC(C)=O)cc3)c(C)c2c1.
What is the InChIKey of N-(4-acetamidophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is XRXHVCOAYYGXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-4-25-16-9-10-18-17(11-16)12(2)19(26-18)20(24)22-15-7-5-14(6-8-15)21-13(3)23/h5-11H,4H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-(4-acetamidophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide?
N-(4-acetamidophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8701405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).