5-ethoxy-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-benzofuran-2-carboxamide

C21H30N2O3 — CID 2408176

IUPAC5-ethoxy-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-benzofuran-2-carboxamide
SMILESCCOc1ccc2oc(C(=O)NC3CC(C)(C)NC(C)(C)C3)c(C)c2c1
InChIInChI=1S/C21H30N2O3/c1-7-25-15-8-9-17-16(10-15)13(2)18(26-17)19(24)22-14-11-20(3,4)23-21(5,6)12-14/h8-10,14,23H,7,11-12H2,1-6H3,(H,22,24)
InChIKeyQLFFXUJVERRSIF-UHFFFAOYSA-N
MW358.48 g/mol
LogP4.18
Rot. Bonds4

About 5-ethoxy-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-benzofuran-2-carboxamide

5-ethoxy-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-benzofuran-2-carboxamide (PubChem CID 2408176) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 5-ethoxy-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-ethoxy-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-benzofuran-2-carboxamide
PubChem CID2408176
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name5-ethoxy-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-benzofuran-2-carboxamide
SMILESCCOc1ccc2oc(C(=O)NC3CC(C)(C)NC(C)(C)C3)c(C)c2c1
InChIInChI=1S/C21H30N2O3/c1-7-25-15-8-9-17-16(10-15)13(2)18(26-17)19(24)22-14-11-20(3,4)23-21(5,6)12-14/h8-10,14,23H,7,11-12H2,1-6H3,(H,22,24)
InChIKeyQLFFXUJVERRSIF-UHFFFAOYSA-N
XLogP4.18
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2777
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CID 768761
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CID 2788390
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CID 725650
CID 725650
CID 44236905
CID 44236905
CID 9839629
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CID 9884156
CID 9884156
CID 9927219
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CID 10925712
CID 10925712
CID 10926138
CID 10926138

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-ethoxy-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-benzofuran-2-carboxamide (CID 2408176) is 5-ethoxy-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-ethoxy-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-ethoxy-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-benzofuran-2-carboxamide is CCOc1ccc2oc(C(=O)NC3CC(C)(C)NC(C)(C)C3)c(C)c2c1.
What is the InChIKey of 5-ethoxy-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-benzofuran-2-carboxamide?
The InChIKey is QLFFXUJVERRSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-7-25-15-8-9-17-16(10-15)13(2)18(26-17)19(24)22-14-11-20(3,4)23-21(5,6)12-14/h8-10,14,23H,7,11-12H2,1-6H3,(H,22,24).
What are the key properties of 5-ethoxy-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-benzofuran-2-carboxamide?
5-ethoxy-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-benzofuran-2-carboxamide has a molecular weight of 358.48 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2408176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).