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

C17H25ClN2O3 — CID 119319244

IUPAC2-amino-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NC(C)c1oc2ccc(OC)cc2c1C.Cl
InChIInChI=1S/C17H24N2O3.ClH/c1-5-6-14(18)17(20)19-11(3)16-10(2)13-9-12(21-4)7-8-15(13)22-16;/h7-9,11,14H,5-6,18H2,1-4H3,(H,19,20);1H
InChIKeyGMMVCPCMJLDGTM-UHFFFAOYSA-N
MW340.85 g/mol
LogP3.48
Rot. Bonds6

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

2-amino-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pentanamide;hydrochloride (PubChem CID 119319244) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is 2-amino-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pentanamide;hydrochloride
PubChem CID119319244
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Name2-amino-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NC(C)c1oc2ccc(OC)cc2c1C.Cl
InChIInChI=1S/C17H24N2O3.ClH/c1-5-6-14(18)17(20)19-11(3)16-10(2)13-9-12(21-4)7-8-15(13)22-16;/h7-9,11,14H,5-6,18H2,1-4H3,(H,19,20);1H
InChIKeyGMMVCPCMJLDGTM-UHFFFAOYSA-N
XLogP3.48
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]pentanamide;hydrochloride
CID 119296949
N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119776161
1-(5-methoxy-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
CID 61282290
5-amino-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2-methylbenzamide
CID 120631158
2-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]pentanamide;hydrochloride
CID 119323150
(2S,5R)-5-(aminomethyl)-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]oxolane-2-carboxamide
CID 120792334
N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119776177
4-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122001157
2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]acetamide
CID 126803953
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
diethyl 2-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]propanedioate
CID 55466367

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pentanamide;hydrochloride (CID 119319244) is 2-amino-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pentanamide;hydrochloride is CCCC(N)C(=O)NC(C)c1oc2ccc(OC)cc2c1C.Cl.
What is the InChIKey of 2-amino-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pentanamide;hydrochloride?
The InChIKey is GMMVCPCMJLDGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3.ClH/c1-5-6-14(18)17(20)19-11(3)16-10(2)13-9-12(21-4)7-8-15(13)22-16;/h7-9,11,14H,5-6,18H2,1-4H3,(H,19,20);1H.
What are the key properties of 2-amino-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pentanamide;hydrochloride?
2-amino-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pentanamide;hydrochloride has a molecular weight of 340.85 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pentanamide;hydrochloride is sourced from PubChem (CID 119319244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).