N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride

C15H23ClN2O3 — CID 119602992

IUPACN-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride
SMILESCOc1ccc(C(=O)NC2CCCC2CN)cc1OC.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-19-13-7-6-10(8-14(13)20-2)15(18)17-12-5-3-4-11(12)9-16;/h6-8,11-12H,3-5,9,16H2,1-2H3,(H,17,18);1H
InChIKeyHXNWZBQWQDJNJU-UHFFFAOYSA-N
MW314.81 g/mol
LogP1.98
Rot. Bonds5

About N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride (PubChem CID 119602992) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride
PubChem CID119602992
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride
SMILESCOc1ccc(C(=O)NC2CCCC2CN)cc1OC.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-19-13-7-6-10(8-14(13)20-2)15(18)17-12-5-3-4-11(12)9-16;/h6-8,11-12H,3-5,9,16H2,1-2H3,(H,17,18);1H
InChIKeyHXNWZBQWQDJNJU-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)cyclopentyl]-4-(2-amino-2-oxoethoxy)-3-methoxybenzamide;hydrochloride
CID 119601304
N-[2-(aminomethyl)cyclopentyl]-3-hydroxy-4-methoxybenzamide
CID 79725712
N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide
CID 103751338
N-[2-(aminomethyl)cyclopentyl]-3,4-dipropoxybenzamide;hydrochloride
CID 119604451
N-[2-(aminomethyl)cyclopentyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 119605114
N-[2-(aminomethyl)cyclopentyl]-4-bromo-3,5-dimethoxybenzamide
CID 119600547
N-[2-(aminomethyl)cyclohexyl]-3,4,5-trimethoxybenzamide;hydrochloride
CID 119610035
N-[2-(aminomethyl)cyclohexyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 119610116
N-[2-(aminomethyl)cyclohexyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 119610980
N-[2-(aminomethyl)cyclopentyl]-2,5-dimethoxybenzamide;hydrochloride
CID 119602527
N-[2-(aminomethyl)cyclopentyl]-3-ethoxy-4-propoxybenzamide
CID 119603710
N-[2-(aminomethyl)cyclopentyl]-2-fluoro-4,5-dimethoxybenzamide;hydrochloride
CID 119601070

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride (CID 119602992) is N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride is COc1ccc(C(=O)NC2CCCC2CN)cc1OC.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride?
The InChIKey is HXNWZBQWQDJNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3.ClH/c1-19-13-7-6-10(8-14(13)20-2)15(18)17-12-5-3-4-11(12)9-16;/h6-8,11-12H,3-5,9,16H2,1-2H3,(H,17,18);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-3,4-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]-3,4-dimethoxybenzamide;hydrochloride is sourced from PubChem (CID 119602992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).