5-ethyl-N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1-benzofuran-3-carboxamide

C17H24N2O3 — CID 122158461

IUPAC5-ethyl-N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1-benzofuran-3-carboxamide
SMILESCCc1ccc2occ(C(=O)NCCN(CC)CCO)c2c1
InChIInChI=1S/C17H24N2O3/c1-3-13-5-6-16-14(11-13)15(12-22-16)17(21)18-7-8-19(4-2)9-10-20/h5-6,11-12,20H,3-4,7-10H2,1-2H3,(H,18,21)
InChIKeySLTVRHUEBZBLFI-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.04
Rot. Bonds8

About 5-ethyl-N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1-benzofuran-3-carboxamide

5-ethyl-N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1-benzofuran-3-carboxamide (PubChem CID 122158461) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 5-ethyl-N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1-benzofuran-3-carboxamide
PubChem CID122158461
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name5-ethyl-N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1-benzofuran-3-carboxamide
SMILESCCc1ccc2occ(C(=O)NCCN(CC)CCO)c2c1
InChIInChI=1S/C17H24N2O3/c1-3-13-5-6-16-14(11-13)15(12-22-16)17(21)18-7-8-19(4-2)9-10-20/h5-6,11-12,20H,3-4,7-10H2,1-2H3,(H,18,21)
InChIKeySLTVRHUEBZBLFI-UHFFFAOYSA-N
XLogP2.04
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-[2-(methylcarbamoylamino)ethyl]-1-benzofuran-3-carboxamide
CID 126841948
5-ethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-3-carboxamide
CID 100653314
N-[2-[(2,5-dimethylpyrazol-3-yl)amino]ethyl]-5-ethyl-1-benzofuran-3-carboxamide
CID 122141182
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-ethyl-1-benzofuran-3-carboxamide
CID 126828085
5-ethyl-N-(2-hydroxyethyl)-N-(thian-4-yl)-1-benzofuran-3-carboxamide
CID 122141193
N-[2-(diethylamino)ethyl]-6-ethyl-4-oxo-1H-quinoline-3-carboxamide;ethane
CID 143617094
5-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-N-propan-2-yl-1-benzofuran-3-carboxamide
CID 122141282
5-ethyl-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-methyl-1-benzofuran-3-carboxamide
CID 125144696
5-ethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-1-benzofuran-3-carboxamide
CID 136541811
5-ethyl-N-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]-1-benzofuran-3-carboxamide
CID 125144255
5-ethyl-N-[(3R,5S)-5-methyl-2-oxooxolan-3-yl]-1-benzofuran-3-carboxamide
CID 125144254
6-ethyl-4-[[ethyl(2-hydroxyethyl)amino]methyl]chromen-2-one
CID 7198680

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1-benzofuran-3-carboxamide?
The IUPAC name of 5-ethyl-N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1-benzofuran-3-carboxamide (CID 122158461) is 5-ethyl-N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-ethyl-N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1-benzofuran-3-carboxamide is CCc1ccc2occ(C(=O)NCCN(CC)CCO)c2c1.
What is the InChIKey of 5-ethyl-N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1-benzofuran-3-carboxamide?
The InChIKey is SLTVRHUEBZBLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-13-5-6-16-14(11-13)15(12-22-16)17(21)18-7-8-19(4-2)9-10-20/h5-6,11-12,20H,3-4,7-10H2,1-2H3,(H,18,21).
What are the key properties of 5-ethyl-N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1-benzofuran-3-carboxamide?
5-ethyl-N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1-benzofuran-3-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 122158461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).