N-[1-(1-benzofuran-2-yl)ethyl]-2-(2-methoxyethylamino)-N-propylacetamide;hydrochloride

C18H27ClN2O3 — CID 119750740

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-2-(2-methoxyethylamino)-N-propylacetamide;hydrochloride
SMILESCCCN(C(=O)CNCCOC)C(C)c1cc2ccccc2o1.Cl
InChIInChI=1S/C18H26N2O3.ClH/c1-4-10-20(18(21)13-19-9-11-22-3)14(2)17-12-15-7-5-6-8-16(15)23-17;/h5-8,12,14,19H,4,9-11,13H2,1-3H3;1H
InChIKeyNSXSSJRRHCQEMY-UHFFFAOYSA-N
MW354.88 g/mol
LogP3.39
Rot. Bonds9

About N-[1-(1-benzofuran-2-yl)ethyl]-2-(2-methoxyethylamino)-N-propylacetamide;hydrochloride

N-[1-(1-benzofuran-2-yl)ethyl]-2-(2-methoxyethylamino)-N-propylacetamide;hydrochloride (PubChem CID 119750740) has the molecular formula C18H27ClN2O3 and a molecular weight of 354.88 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-2-(2-methoxyethylamino)-N-propylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-2-(2-methoxyethylamino)-N-propylacetamide;hydrochloride
PubChem CID119750740
Molecular FormulaC18H27ClN2O3
Molecular Weight354.88 g/mol
Exact Mass354.17
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-2-(2-methoxyethylamino)-N-propylacetamide;hydrochloride
SMILESCCCN(C(=O)CNCCOC)C(C)c1cc2ccccc2o1.Cl
InChIInChI=1S/C18H26N2O3.ClH/c1-4-10-20(18(21)13-19-9-11-22-3)14(2)17-12-15-7-5-6-8-16(15)23-17;/h5-8,12,14,19H,4,9-11,13H2,1-3H3;1H
InChIKeyNSXSSJRRHCQEMY-UHFFFAOYSA-N
XLogP3.39
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-2-(methylamino)acetamide
CID 119748635
2-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-propylamino]-2-oxoethyl]sulfanylacetamide
CID 94486660
2-(2-methoxyethylamino)-N-propan-2-yl-N-propylacetamide
CID 79280705
N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-3-methylbutanamide
CID 60574738
N-[1-(1-benzofuran-2-yl)ethyl]-1-oxido-N-propylpyridin-1-ium-2-carboxamide
CID 75493606
(2S)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-propyl-1,4-dioxane-2-carboxamide
CID 94486627
(2R)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-propyl-1,4-dioxane-2-carboxamide
CID 94486629
N-benzyl-2-(2-methoxyethylamino)-N-propylacetamide;hydrochloride
CID 119681638
N-[1-(1-benzofuran-2-yl)ethyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-propylpropanamide
CID 60569346
N-[1-(1-benzofuran-2-yl)ethyl]-5-nitro-N-propylfuran-2-carboxamide
CID 60569015
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-oxo-N-propyl-1H-pyridazine-3-carboxamide
CID 94486607
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119737229

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-(2-methoxyethylamino)-N-propylacetamide;hydrochloride?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-(2-methoxyethylamino)-N-propylacetamide;hydrochloride (CID 119750740) is N-[1-(1-benzofuran-2-yl)ethyl]-2-(2-methoxyethylamino)-N-propylacetamide;hydrochloride.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-2-(2-methoxyethylamino)-N-propylacetamide;hydrochloride?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-2-(2-methoxyethylamino)-N-propylacetamide;hydrochloride is CCCN(C(=O)CNCCOC)C(C)c1cc2ccccc2o1.Cl.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-2-(2-methoxyethylamino)-N-propylacetamide;hydrochloride?
The InChIKey is NSXSSJRRHCQEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3.ClH/c1-4-10-20(18(21)13-19-9-11-22-3)14(2)17-12-15-7-5-6-8-16(15)23-17;/h5-8,12,14,19H,4,9-11,13H2,1-3H3;1H.
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-2-(2-methoxyethylamino)-N-propylacetamide;hydrochloride?
N-[1-(1-benzofuran-2-yl)ethyl]-2-(2-methoxyethylamino)-N-propylacetamide;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 3.39, 9 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-methoxyethylamino)-N-propylacetamide;hydrochloride is sourced from PubChem (CID 119750740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).