N-[2-(aminomethyl)cyclopentyl]-2,5-dimethoxybenzamide;hydrochloride

C15H23ClN2O3 — CID 119602527

IUPACN-[2-(aminomethyl)cyclopentyl]-2,5-dimethoxybenzamide;hydrochloride
SMILESCOc1ccc(OC)c(C(=O)NC2CCCC2CN)c1.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-19-11-6-7-14(20-2)12(8-11)15(18)17-13-5-3-4-10(13)9-16;/h6-8,10,13H,3-5,9,16H2,1-2H3,(H,17,18);1H
InChIKeyVGZNYFFSLOGKGZ-UHFFFAOYSA-N
MW314.81 g/mol
LogP1.98
Rot. Bonds5

About N-[2-(aminomethyl)cyclopentyl]-2,5-dimethoxybenzamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-2,5-dimethoxybenzamide;hydrochloride (PubChem CID 119602527) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2,5-dimethoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2,5-dimethoxybenzamide;hydrochloride
PubChem CID119602527
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2,5-dimethoxybenzamide;hydrochloride
SMILESCOc1ccc(OC)c(C(=O)NC2CCCC2CN)c1.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-19-11-6-7-14(20-2)12(8-11)15(18)17-13-5-3-4-10(13)9-16;/h6-8,10,13H,3-5,9,16H2,1-2H3,(H,17,18);1H
InChIKeyVGZNYFFSLOGKGZ-UHFFFAOYSA-N
XLogP1.98
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-2,5-dimethoxybenzamide;hydrochloride
CID 119610574
N-[2-(bromomethyl)cyclopentyl]-2,5-dimethoxybenzamide
CID 106366534
N-[2-(aminomethyl)cyclohexyl]-2-(2,5-dimethoxyphenyl)acetamide;hydrochloride
CID 119610659
N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride
CID 119602992
N-(2-chlorocyclopentyl)-2,5-dimethoxybenzamide
CID 106444066
N-[2-(aminomethyl)cyclopentyl]-2-fluoro-4,5-dimethoxybenzamide;hydrochloride
CID 119601070
N-[2-(aminomethyl)cyclopentyl]-2-(4-methoxyphenoxy)-5-nitrobenzamide
CID 119605134
N-[2-(aminomethyl)cyclopentyl]-3-hydroxy-4-methoxybenzamide
CID 79725712
N-[2-(aminomethyl)cyclopentyl]-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide;hydrochloride
CID 119603360
N-[2-(aminomethyl)cyclopentyl]-4-(2-amino-2-oxoethoxy)-3-methoxybenzamide;hydrochloride
CID 119601304
N-[2-(aminomethyl)cyclopentyl]-6-methoxy-2H-chromene-3-carboxamide
CID 119602105
N-cyclohexyl-2,5-dimethoxybenzamide
CID 8573659

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2,5-dimethoxybenzamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2,5-dimethoxybenzamide;hydrochloride (CID 119602527) is N-[2-(aminomethyl)cyclopentyl]-2,5-dimethoxybenzamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2,5-dimethoxybenzamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2,5-dimethoxybenzamide;hydrochloride is COc1ccc(OC)c(C(=O)NC2CCCC2CN)c1.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2,5-dimethoxybenzamide;hydrochloride?
The InChIKey is VGZNYFFSLOGKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3.ClH/c1-19-11-6-7-14(20-2)12(8-11)15(18)17-13-5-3-4-10(13)9-16;/h6-8,10,13H,3-5,9,16H2,1-2H3,(H,17,18);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2,5-dimethoxybenzamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-2,5-dimethoxybenzamide;hydrochloride has a molecular weight of 314.81 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2,5-dimethoxybenzamide;hydrochloride is sourced from PubChem (CID 119602527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).