5-ethyl-N-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]-1-benzofuran-3-carboxamide

C16H17NO4 — CID 125144255

IUPAC5-ethyl-N-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]-1-benzofuran-3-carboxamide
SMILESCCc1ccc2occ(C(=O)N[C@H]3C[C@H](C)OC3=O)c2c1
InChIInChI=1S/C16H17NO4/c1-3-10-4-5-14-11(7-10)12(8-20-14)15(18)17-13-6-9(2)21-16(13)19/h4-5,7-9,13H,3,6H2,1-2H3,(H,17,18)/t9-,13-/m0/s1
InChIKeyQLCMKZLKGDJXAF-ZANVPECISA-N
MW287.32 g/mol
LogP2.43
Rot. Bonds3

About 5-ethyl-N-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]-1-benzofuran-3-carboxamide

5-ethyl-N-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]-1-benzofuran-3-carboxamide (PubChem CID 125144255) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-ethyl-N-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]-1-benzofuran-3-carboxamide
PubChem CID125144255
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name5-ethyl-N-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]-1-benzofuran-3-carboxamide
SMILESCCc1ccc2occ(C(=O)N[C@H]3C[C@H](C)OC3=O)c2c1
InChIInChI=1S/C16H17NO4/c1-3-10-4-5-14-11(7-10)12(8-20-14)15(18)17-13-6-9(2)21-16(13)19/h4-5,7-9,13H,3,6H2,1-2H3,(H,17,18)/t9-,13-/m0/s1
InChIKeyQLCMKZLKGDJXAF-ZANVPECISA-N
XLogP2.43
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]-1-benzofuran-3-carboxamide?
The IUPAC name of 5-ethyl-N-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]-1-benzofuran-3-carboxamide (CID 125144255) is 5-ethyl-N-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-ethyl-N-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]-1-benzofuran-3-carboxamide is CCc1ccc2occ(C(=O)N[C@H]3C[C@H](C)OC3=O)c2c1.
What is the InChIKey of 5-ethyl-N-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]-1-benzofuran-3-carboxamide?
The InChIKey is QLCMKZLKGDJXAF-ZANVPECISA-N. The full InChI is InChI=1S/C16H17NO4/c1-3-10-4-5-14-11(7-10)12(8-20-14)15(18)17-13-6-9(2)21-16(13)19/h4-5,7-9,13H,3,6H2,1-2H3,(H,17,18)/t9-,13-/m0/s1.
What are the key properties of 5-ethyl-N-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]-1-benzofuran-3-carboxamide?
5-ethyl-N-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]-1-benzofuran-3-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 125144255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).