3-[(3-aminocyclopentanecarbonyl)amino]-N,N-diethylbenzamide;hydrochloride

C17H26ClN3O2 — CID 119685392

IUPAC3-[(3-aminocyclopentanecarbonyl)amino]-N,N-diethylbenzamide;hydrochloride
SMILESCCN(CC)C(=O)c1cccc(NC(=O)C2CCC(N)C2)c1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-3-20(4-2)17(22)13-6-5-7-15(11-13)19-16(21)12-8-9-14(18)10-12;/h5-7,11-12,14H,3-4,8-10,18H2,1-2H3,(H,19,21);1H
InChIKeyABXJVIDWOAURMI-UHFFFAOYSA-N
MW339.87 g/mol
LogP2.66
Rot. Bonds5

About 3-[(3-aminocyclopentanecarbonyl)amino]-N,N-diethylbenzamide;hydrochloride

3-[(3-aminocyclopentanecarbonyl)amino]-N,N-diethylbenzamide;hydrochloride (PubChem CID 119685392) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 3-[(3-aminocyclopentanecarbonyl)amino]-N,N-diethylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-[(3-aminocyclopentanecarbonyl)amino]-N,N-diethylbenzamide;hydrochloride
PubChem CID119685392
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name3-[(3-aminocyclopentanecarbonyl)amino]-N,N-diethylbenzamide;hydrochloride
SMILESCCN(CC)C(=O)c1cccc(NC(=O)C2CCC(N)C2)c1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-3-20(4-2)17(22)13-6-5-7-15(11-13)19-16(21)12-8-9-14(18)10-12;/h5-7,11-12,14H,3-4,8-10,18H2,1-2H3,(H,19,21);1H
InChIKeyABXJVIDWOAURMI-UHFFFAOYSA-N
XLogP2.66
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-aminocyclopentanecarbonyl)amino]-N,N-diethylbenzamide
CID 119685393
1-N,4-N-bis[3-(diethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17195088
N-[3-(diethylcarbamoyl)phenyl]oxane-4-carboxamide
CID 31973447
3-amino-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119732638
(2S)-N-[3-(diethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119269061
5-[(3-aminocyclopentanecarbonyl)amino]-N-benzyl-2-chloro-N-ethylbenzamide;hydrochloride
CID 119731750
3-[(3-aminocyclopentanecarbonyl)amino]-N-(3-fluorophenyl)benzamide
CID 119740416
cis-(1S,3R)-3-amino-N-(3-phenylphenyl)cyclopentane-1-carboxamide
CID 56906171
N-[3-(diethylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134041040
3-N-[3-(diethylcarbamoyl)phenyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 102556035
3-amino-N-[3-(methylsulfamoyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119731804
3-amino-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119856940

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminocyclopentanecarbonyl)amino]-N,N-diethylbenzamide;hydrochloride?
The IUPAC name of 3-[(3-aminocyclopentanecarbonyl)amino]-N,N-diethylbenzamide;hydrochloride (CID 119685392) is 3-[(3-aminocyclopentanecarbonyl)amino]-N,N-diethylbenzamide;hydrochloride.
What is the SMILES notation for 3-[(3-aminocyclopentanecarbonyl)amino]-N,N-diethylbenzamide;hydrochloride?
The canonical SMILES for 3-[(3-aminocyclopentanecarbonyl)amino]-N,N-diethylbenzamide;hydrochloride is CCN(CC)C(=O)c1cccc(NC(=O)C2CCC(N)C2)c1.Cl.
What is the InChIKey of 3-[(3-aminocyclopentanecarbonyl)amino]-N,N-diethylbenzamide;hydrochloride?
The InChIKey is ABXJVIDWOAURMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c1-3-20(4-2)17(22)13-6-5-7-15(11-13)19-16(21)12-8-9-14(18)10-12;/h5-7,11-12,14H,3-4,8-10,18H2,1-2H3,(H,19,21);1H.
What are the key properties of 3-[(3-aminocyclopentanecarbonyl)amino]-N,N-diethylbenzamide;hydrochloride?
3-[(3-aminocyclopentanecarbonyl)amino]-N,N-diethylbenzamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminocyclopentanecarbonyl)amino]-N,N-diethylbenzamide;hydrochloride is sourced from PubChem (CID 119685392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).