N-[1-(1-benzofuran-2-yl)ethyl]-N-methylmorpholine-2-carboxamide;hydrochloride

C16H21ClN2O3 — CID 119705084

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-N-methylmorpholine-2-carboxamide;hydrochloride
SMILESCC(c1cc2ccccc2o1)N(C)C(=O)C1CNCCO1.Cl
InChIInChI=1S/C16H20N2O3.ClH/c1-11(14-9-12-5-3-4-6-13(12)21-14)18(2)16(19)15-10-17-7-8-20-15;/h3-6,9,11,15,17H,7-8,10H2,1-2H3;1H
InChIKeyWEJIAYGAZCRJNU-UHFFFAOYSA-N
MW324.81 g/mol
LogP2.36
Rot. Bonds3

About N-[1-(1-benzofuran-2-yl)ethyl]-N-methylmorpholine-2-carboxamide;hydrochloride

N-[1-(1-benzofuran-2-yl)ethyl]-N-methylmorpholine-2-carboxamide;hydrochloride (PubChem CID 119705084) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-N-methylmorpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-N-methylmorpholine-2-carboxamide;hydrochloride
PubChem CID119705084
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-N-methylmorpholine-2-carboxamide;hydrochloride
SMILESCC(c1cc2ccccc2o1)N(C)C(=O)C1CNCCO1.Cl
InChIInChI=1S/C16H20N2O3.ClH/c1-11(14-9-12-5-3-4-6-13(12)21-14)18(2)16(19)15-10-17-7-8-20-15;/h3-6,9,11,15,17H,7-8,10H2,1-2H3;1H
InChIKeyWEJIAYGAZCRJNU-UHFFFAOYSA-N
XLogP2.36
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 25354183
(2S)-N-methyl-N-propan-2-ylmorpholine-2-carboxamide;hydrochloride
CID 131067526
N-[1-benzofuran-2-yl(phenyl)methyl]morpholine-2-carboxamide
CID 119697982
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 119705070
(2R)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-propyl-1,4-dioxane-2-carboxamide
CID 94486629
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 52989043
9-amino-N-[1-(1-benzofuran-2-yl)ethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985064
2-(1-benzofuran-2-yl)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119471792
N,N-dimethylmorpholine-2-carboxamide;hydrochloride
CID 71298970
N-[1-(1-benzofuran-2-yl)ethyl]-2-methoxy-N-methylpropanamide
CID 115588204
3-[1-(1-benzofuran-2-yl)ethyl-methylamino]-3-oxopropanoic acid
CID 55049773
N-methyl-N-(3-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119707893

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-N-methylmorpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-N-methylmorpholine-2-carboxamide;hydrochloride (CID 119705084) is N-[1-(1-benzofuran-2-yl)ethyl]-N-methylmorpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-N-methylmorpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-N-methylmorpholine-2-carboxamide;hydrochloride is CC(c1cc2ccccc2o1)N(C)C(=O)C1CNCCO1.Cl.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-N-methylmorpholine-2-carboxamide;hydrochloride?
The InChIKey is WEJIAYGAZCRJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3.ClH/c1-11(14-9-12-5-3-4-6-13(12)21-14)18(2)16(19)15-10-17-7-8-20-15;/h3-6,9,11,15,17H,7-8,10H2,1-2H3;1H.
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-N-methylmorpholine-2-carboxamide;hydrochloride?
N-[1-(1-benzofuran-2-yl)ethyl]-N-methylmorpholine-2-carboxamide;hydrochloride has a molecular weight of 324.81 g/mol, XLogP of 2.36, 3 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]-N-methylmorpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119705084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).