N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride

C15H21ClN2O3 — CID 119776161

IUPACN-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)NC(C)c1oc2ccc(OC)cc2c1C.Cl
InChIInChI=1S/C15H20N2O3.ClH/c1-9-12-7-11(19-4)5-6-13(12)20-15(9)10(2)17-14(18)8-16-3;/h5-7,10,16H,8H2,1-4H3,(H,17,18);1H
InChIKeyJUUSFJSMBMLFGJ-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.57
Rot. Bonds5

About N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride

N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride (PubChem CID 119776161) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
PubChem CID119776161
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC NameN-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)NC(C)c1oc2ccc(OC)cc2c1C.Cl
InChIInChI=1S/C15H20N2O3.ClH/c1-9-12-7-11(19-4)5-6-13(12)20-15(9)10(2)17-14(18)8-16-3;/h5-7,10,16H,8H2,1-4H3,(H,17,18);1H
InChIKeyJUUSFJSMBMLFGJ-UHFFFAOYSA-N
XLogP2.57
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pentanamide;hydrochloride
CID 119319244
1-(5-methoxy-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
CID 61282290
N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119776177
2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]acetamide
CID 126803953
5-amino-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2-methylbenzamide
CID 120631158
(2S,5R)-5-(aminomethyl)-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]oxolane-2-carboxamide
CID 120792334
4-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122001157
N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119319220
1-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-[(1S)-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]urea
CID 99804927
N-[2-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]ethyl]-N-methylmethanesulfonamide
CID 75477505
N-ethyl-5-methoxy-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
CID 8960895
(1S)-N-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethanamine
CID 97353548

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride (CID 119776161) is N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride is CNCC(=O)NC(C)c1oc2ccc(OC)cc2c1C.Cl.
What is the InChIKey of N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride?
The InChIKey is JUUSFJSMBMLFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3.ClH/c1-9-12-7-11(19-4)5-6-13(12)20-15(9)10(2)17-14(18)8-16-3;/h5-7,10,16H,8H2,1-4H3,(H,17,18);1H.
What are the key properties of N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride?
N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride has a molecular weight of 312.80 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 119776161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).