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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Related Compounds

5-hydroxy-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 166631314
5-methoxy-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 166635500
5-prop-2-enoxy-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 166636412
2-Benzofurancarboxamide,3-methyl-N-4-morpholinyl-(9CI)
CID 1246938
5-ethoxy-3-methyl-N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide
CID 2474196
3-methyl-N-morpholin-4-ylbenzo[g][1]benzofuran-2-carboxamide
CID 2492562
N-tert-butyl-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2492577
5-methoxy-3-methyl-N-(3-methylbutyl)-2-benzofurancarboxamide
CID 2561213
5-ethoxy-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 18160210
5-[(4-isopropylphenoxy)methyl]-N-(4-methyl-1-piperazinyl)-2-furamide
CID 2165977
(6S)-4-(5-methoxy-1-benzofuran-2-carbonyl)-1-[(3-methoxyphenyl)methyl]-6-(2-phenylethyl)piperazin-2-one
CID 122600962
5-ethoxy-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1-benzofuran-2-carboxamide
CID 2408176

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).