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

C19H26N2O3 — CID 4877347

IUPACN-(2,6-dimethylpiperidin-1-yl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCCOc1ccc2oc(C(=O)NN3C(C)CCCC3C)c(C)c2c1
InChIInChI=1S/C19H26N2O3/c1-5-23-15-9-10-17-16(11-15)14(4)18(24-17)19(22)20-21-12(2)7-6-8-13(21)3/h9-13H,5-8H2,1-4H3,(H,20,22)
InChIKeyQJCLXHCIIUAAAM-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.05
Rot. Bonds4

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

N-(2,6-dimethylpiperidin-1-yl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 4877347) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-(2,6-dimethylpiperidin-1-yl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylpiperidin-1-yl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
PubChem CID4877347
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-(2,6-dimethylpiperidin-1-yl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCCOc1ccc2oc(C(=O)NN3C(C)CCCC3C)c(C)c2c1
InChIInChI=1S/C19H26N2O3/c1-5-23-15-9-10-17-16(11-15)14(4)18(24-17)19(22)20-21-12(2)7-6-8-13(21)3/h9-13H,5-8H2,1-4H3,(H,20,22)
InChIKeyQJCLXHCIIUAAAM-UHFFFAOYSA-N
XLogP4.05
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylpiperidin-1-yl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2,6-dimethylpiperidin-1-yl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide (CID 4877347) is N-(2,6-dimethylpiperidin-1-yl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2,6-dimethylpiperidin-1-yl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2,6-dimethylpiperidin-1-yl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide is CCOc1ccc2oc(C(=O)NN3C(C)CCCC3C)c(C)c2c1.
What is the InChIKey of N-(2,6-dimethylpiperidin-1-yl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is QJCLXHCIIUAAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-5-23-15-9-10-17-16(11-15)14(4)18(24-17)19(22)20-21-12(2)7-6-8-13(21)3/h9-13H,5-8H2,1-4H3,(H,20,22).
What are the key properties of N-(2,6-dimethylpiperidin-1-yl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide?
N-(2,6-dimethylpiperidin-1-yl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylpiperidin-1-yl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 4877347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).