N-[2-(aminomethyl)cyclopentyl]-4-prop-2-enoxybenzamide;hydrochloride

C16H23ClN2O2 — CID 119604415

IUPACN-[2-(aminomethyl)cyclopentyl]-4-prop-2-enoxybenzamide;hydrochloride
SMILESC=CCOc1ccc(C(=O)NC2CCCC2CN)cc1.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-2-10-20-14-8-6-12(7-9-14)16(19)18-15-5-3-4-13(15)11-17;/h2,6-9,13,15H,1,3-5,10-11,17H2,(H,18,19);1H
InChIKeyKUOMJHRLOMOKEA-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.53
Rot. Bonds6

About N-[2-(aminomethyl)cyclopentyl]-4-prop-2-enoxybenzamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-4-prop-2-enoxybenzamide;hydrochloride (PubChem CID 119604415) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-4-prop-2-enoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-4-prop-2-enoxybenzamide;hydrochloride
PubChem CID119604415
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-4-prop-2-enoxybenzamide;hydrochloride
SMILESC=CCOc1ccc(C(=O)NC2CCCC2CN)cc1.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-2-10-20-14-8-6-12(7-9-14)16(19)18-15-5-3-4-13(15)11-17;/h2,6-9,13,15H,1,3-5,10-11,17H2,(H,18,19);1H
InChIKeyKUOMJHRLOMOKEA-UHFFFAOYSA-N
XLogP2.53
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-4-(cyclopropylmethoxy)benzamide;hydrochloride
CID 119602452
N-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride
CID 119609783
N-[2-(aminomethyl)cyclohexyl]-4-butoxybenzamide
CID 119610066
N-[2-(aminomethyl)cyclohexyl]-4-(difluoromethoxy)benzamide;hydrochloride
CID 119609331
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride
CID 119602992
N-(4-aminocyclohexyl)-4-prop-2-enoxybenzamide;hydrochloride
CID 119478238
N-[2-(aminomethyl)cyclopentyl]-4-propanoylbenzamide
CID 119603540
4-ethoxy-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103751428
N-[2-(aminomethyl)cyclopentyl]-4-benzamidobenzamide;hydrochloride
CID 119603744
N-[2-(aminomethyl)cyclopentyl]-4-(methylsulfamoyl)benzamide;hydrochloride
CID 119601298
N-[2-(aminomethyl)cyclopentyl]-4-(2-amino-2-oxoethyl)sulfonylbenzamide;hydrochloride
CID 119602335

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-prop-2-enoxybenzamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-prop-2-enoxybenzamide;hydrochloride (CID 119604415) is N-[2-(aminomethyl)cyclopentyl]-4-prop-2-enoxybenzamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-4-prop-2-enoxybenzamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-4-prop-2-enoxybenzamide;hydrochloride is C=CCOc1ccc(C(=O)NC2CCCC2CN)cc1.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-4-prop-2-enoxybenzamide;hydrochloride?
The InChIKey is KUOMJHRLOMOKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2.ClH/c1-2-10-20-14-8-6-12(7-9-14)16(19)18-15-5-3-4-13(15)11-17;/h2,6-9,13,15H,1,3-5,10-11,17H2,(H,18,19);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-4-prop-2-enoxybenzamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-4-prop-2-enoxybenzamide;hydrochloride has a molecular weight of 310.83 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-4-prop-2-enoxybenzamide;hydrochloride is sourced from PubChem (CID 119604415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).