5-ethyl-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-methyl-1-benzofuran-3-carboxamide

C17H23NO3 — CID 125144696

IUPAC5-ethyl-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-methyl-1-benzofuran-3-carboxamide
SMILESCCc1ccc2occ(C(=O)N(C)[C@H](C)C(C)(C)O)c2c1
InChIInChI=1S/C17H23NO3/c1-6-12-7-8-15-13(9-12)14(10-21-15)16(19)18(5)11(2)17(3,4)20/h7-11,20H,6H2,1-5H3/t11-/m1/s1
InChIKeyHWSBHTDQOKUBFI-LLVKDONJSA-N
MW289.38 g/mol
LogP3.23
Rot. Bonds4

About 5-ethyl-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-methyl-1-benzofuran-3-carboxamide

5-ethyl-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-methyl-1-benzofuran-3-carboxamide (PubChem CID 125144696) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-ethyl-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-methyl-1-benzofuran-3-carboxamide
PubChem CID125144696
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name5-ethyl-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-methyl-1-benzofuran-3-carboxamide
SMILESCCc1ccc2occ(C(=O)N(C)[C@H](C)C(C)(C)O)c2c1
InChIInChI=1S/C17H23NO3/c1-6-12-7-8-15-13(9-12)14(10-21-15)16(19)18(5)11(2)17(3,4)20/h7-11,20H,6H2,1-5H3/t11-/m1/s1
InChIKeyHWSBHTDQOKUBFI-LLVKDONJSA-N
XLogP3.23
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-N-propan-2-yl-1-benzofuran-3-carboxamide
CID 122141282
5-ethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-3-carboxamide
CID 100653314
5-ethyl-N-[2-(methylcarbamoylamino)ethyl]-1-benzofuran-3-carboxamide
CID 126841948
5-ethyl-N-(2-hydroxyethyl)-N-(thian-4-yl)-1-benzofuran-3-carboxamide
CID 122141193
1-(6-ethyl-1-benzofuran-3-yl)-2,2-dimethylpropan-1-one
CID 155207613
5-ethyl-N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1-benzofuran-3-carboxamide
CID 122158461
2-(5-ethyl-1-benzofuran-3-yl)acetamide
CID 18872501
6-ethyl-1-benzofuran-3-carboxylic acid
CID 155722437
5-ethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-1-benzofuran-3-carboxamide
CID 136541811
(5-ethyl-1-benzofuran-3-yl)-[2-(hydroxymethyl)azetidin-1-yl]methanone
CID 136567414
N-[2-[(2,5-dimethylpyrazol-3-yl)amino]ethyl]-5-ethyl-1-benzofuran-3-carboxamide
CID 122141182
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-ethyl-1-benzofuran-3-carboxamide
CID 126828085

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of 5-ethyl-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-methyl-1-benzofuran-3-carboxamide (CID 125144696) is 5-ethyl-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-ethyl-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-methyl-1-benzofuran-3-carboxamide is CCc1ccc2occ(C(=O)N(C)[C@H](C)C(C)(C)O)c2c1.
What is the InChIKey of 5-ethyl-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-methyl-1-benzofuran-3-carboxamide?
The InChIKey is HWSBHTDQOKUBFI-LLVKDONJSA-N. The full InChI is InChI=1S/C17H23NO3/c1-6-12-7-8-15-13(9-12)14(10-21-15)16(19)18(5)11(2)17(3,4)20/h7-11,20H,6H2,1-5H3/t11-/m1/s1.
What are the key properties of 5-ethyl-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-methyl-1-benzofuran-3-carboxamide?
5-ethyl-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-methyl-1-benzofuran-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 125144696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).