5-ethoxy-3-methyl-N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide

C17H23NO3 — CID 2474196

IUPAC5-ethoxy-3-methyl-N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide
SMILESCCOc1ccc2oc(C(=O)NC(C)(C)CC)c(C)c2c1
InChIInChI=1S/C17H23NO3/c1-6-17(4,5)18-16(19)15-11(3)13-10-12(20-7-2)8-9-14(13)21-15/h8-10H,6-7H2,1-5H3,(H,18,19)
InChIKeyOPLYMDLQEOMCAS-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.06
Rot. Bonds5

About 5-ethoxy-3-methyl-N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide

5-ethoxy-3-methyl-N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide (PubChem CID 2474196) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-ethoxy-3-methyl-N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-ethoxy-3-methyl-N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide
PubChem CID2474196
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name5-ethoxy-3-methyl-N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide
SMILESCCOc1ccc2oc(C(=O)NC(C)(C)CC)c(C)c2c1
InChIInChI=1S/C17H23NO3/c1-6-17(4,5)18-16(19)15-11(3)13-10-12(20-7-2)8-9-14(13)21-15/h8-10H,6-7H2,1-5H3,(H,18,19)
InChIKeyOPLYMDLQEOMCAS-UHFFFAOYSA-N
XLogP4.06
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-methyl-N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-ethoxy-3-methyl-N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide (CID 2474196) is 5-ethoxy-3-methyl-N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-ethoxy-3-methyl-N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-ethoxy-3-methyl-N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide is CCOc1ccc2oc(C(=O)NC(C)(C)CC)c(C)c2c1.
What is the InChIKey of 5-ethoxy-3-methyl-N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide?
The InChIKey is OPLYMDLQEOMCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-6-17(4,5)18-16(19)15-11(3)13-10-12(20-7-2)8-9-14(13)21-15/h8-10H,6-7H2,1-5H3,(H,18,19).
What are the key properties of 5-ethoxy-3-methyl-N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide?
5-ethoxy-3-methyl-N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-methyl-N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2474196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).