N-[1-(1-benzofuran-2-yl)ethyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide

C20H28N2O3 — CID 111113418

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide
SMILESCC(c1cc2ccccc2o1)N(C)C(=O)CN1CCCCC1CCO
InChIInChI=1S/C20H28N2O3/c1-15(19-13-16-7-3-4-9-18(16)25-19)21(2)20(24)14-22-11-6-5-8-17(22)10-12-23/h3-4,7,9,13,15,17,23H,5-6,8,10-12,14H2,1-2H3
InChIKeyJNOAXOCOPURSHT-UHFFFAOYSA-N
MW344.45 g/mol
LogP3.19
Rot. Bonds6

About N-[1-(1-benzofuran-2-yl)ethyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide

N-[1-(1-benzofuran-2-yl)ethyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide (PubChem CID 111113418) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide
PubChem CID111113418
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide
SMILESCC(c1cc2ccccc2o1)N(C)C(=O)CN1CCCCC1CCO
InChIInChI=1S/C20H28N2O3/c1-15(19-13-16-7-3-4-9-18(16)25-19)21(2)20(24)14-22-11-6-5-8-17(22)10-12-23/h3-4,7,9,13,15,17,23H,5-6,8,10-12,14H2,1-2H3
InChIKeyJNOAXOCOPURSHT-UHFFFAOYSA-N
XLogP3.19
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide
CID 95268917
3-[1-(1-benzofuran-2-yl)ethyl-methylamino]-3-oxopropanoic acid
CID 55049773
N-ethyl-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-phenylacetamide
CID 60690329
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 119705070
9-amino-N-[1-(1-benzofuran-2-yl)ethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985064
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 52989043
2-[2-(2-hydroxypropyl)azepan-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 114338856
N-[1-(1-benzofuran-2-yl)ethyl]-4-chloro-N-methylbutanamide
CID 55204447
1-[1-(1-benzofuran-2-yl)ethyl]-3-(1-cyclohexylpiperidin-4-yl)-1-methylurea
CID 126786259
N-[1-(1-benzofuran-2-yl)ethyl]-3-(2,5-dioxoimidazolidin-4-yl)-N-methylpropanamide
CID 154771364
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 134019422
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(dimethylsulfamoyl)-N-methylpropanamide
CID 97251479

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide (CID 111113418) is N-[1-(1-benzofuran-2-yl)ethyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide is CC(c1cc2ccccc2o1)N(C)C(=O)CN1CCCCC1CCO.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide?
The InChIKey is JNOAXOCOPURSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-15(19-13-16-7-3-4-9-18(16)25-19)21(2)20(24)14-22-11-6-5-8-17(22)10-12-23/h3-4,7,9,13,15,17,23H,5-6,8,10-12,14H2,1-2H3.
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide?
N-[1-(1-benzofuran-2-yl)ethyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide has a molecular weight of 344.45 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 111113418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).