N-[2-(aminomethyl)cyclopentyl]-4-propanoylbenzamide

C16H22N2O2 — CID 119603540

IUPACN-[2-(aminomethyl)cyclopentyl]-4-propanoylbenzamide
SMILESCCC(=O)c1ccc(C(=O)NC2CCCC2CN)cc1
InChIInChI=1S/C16H22N2O2/c1-2-15(19)11-6-8-12(9-7-11)16(20)18-14-5-3-4-13(14)10-17/h6-9,13-14H,2-5,10,17H2,1H3,(H,18,20)
InChIKeyLJSXPCMXLTXEDG-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.14
Rot. Bonds5

About N-[2-(aminomethyl)cyclopentyl]-4-propanoylbenzamide

N-[2-(aminomethyl)cyclopentyl]-4-propanoylbenzamide (PubChem CID 119603540) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-4-propanoylbenzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-4-propanoylbenzamide
PubChem CID119603540
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-4-propanoylbenzamide
SMILESCCC(=O)c1ccc(C(=O)NC2CCCC2CN)cc1
InChIInChI=1S/C16H22N2O2/c1-2-15(19)11-6-8-12(9-7-11)16(20)18-14-5-3-4-13(14)10-17/h6-9,13-14H,2-5,10,17H2,1H3,(H,18,20)
InChIKeyLJSXPCMXLTXEDG-UHFFFAOYSA-N
XLogP2.14
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[2-(aminomethyl)cyclopentyl]-4-(ethylsulfanylmethyl)benzamide
CID 119602533
N-[2-(aminomethyl)cyclopentyl]-4-(cyclopropanecarbonylamino)benzamide
CID 119604775
N-[2-(aminomethyl)cyclopentyl]-4-(methylsulfamoyl)benzamide
CID 119601299
N-[2-(aminomethyl)cyclopentyl]-4-(diethylsulfamoyl)benzamide
CID 119603064
N-[2-(aminomethyl)cyclopentyl]-4-(methylsulfamoyl)benzamide;hydrochloride
CID 119601298
N-[2-(aminomethyl)cyclohexyl]-4-butoxybenzamide
CID 119610066
N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride
CID 119602992
N-[2-(aminomethyl)cyclohexyl]-4-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 119612158
N-[2-(aminomethyl)cyclopentyl]-4-benzamidobenzamide;hydrochloride
CID 119603744
N-[2-(aminomethyl)cyclopentyl]-4-(2-amino-2-oxoethyl)sulfonylbenzamide;hydrochloride
CID 119602335
N-[2-(aminomethyl)cyclohexyl]-4-(difluoromethoxy)benzamide;hydrochloride
CID 119609331

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-propanoylbenzamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-propanoylbenzamide (CID 119603540) is N-[2-(aminomethyl)cyclopentyl]-4-propanoylbenzamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-4-propanoylbenzamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-4-propanoylbenzamide is CCC(=O)c1ccc(C(=O)NC2CCCC2CN)cc1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-4-propanoylbenzamide?
The InChIKey is LJSXPCMXLTXEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-15(19)11-6-8-12(9-7-11)16(20)18-14-5-3-4-13(14)10-17/h6-9,13-14H,2-5,10,17H2,1H3,(H,18,20).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-4-propanoylbenzamide?
N-[2-(aminomethyl)cyclopentyl]-4-propanoylbenzamide has a molecular weight of 274.36 g/mol, XLogP of 2.14, 5 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-propanoylbenzamide is sourced from PubChem (CID 119603540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).