3-amino-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride

C14H21ClN2O — CID 119670627

IUPAC3-amino-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)C2CCC(N)C2)cc1C.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-9-3-6-13(7-10(9)2)16-14(17)11-4-5-12(15)8-11;/h3,6-7,11-12H,4-5,8,15H2,1-2H3,(H,16,17);1H
InChIKeyKXXNNVOBYXOOAB-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.79
Rot. Bonds2

About 3-amino-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride

3-amino-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119670627) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 3-amino-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride
PubChem CID119670627
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name3-amino-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)C2CCC(N)C2)cc1C.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-9-3-6-13(7-10(9)2)16-14(17)11-4-5-12(15)8-11;/h3,6-7,11-12H,4-5,8,15H2,1-2H3,(H,16,17);1H
InChIKeyKXXNNVOBYXOOAB-UHFFFAOYSA-N
XLogP2.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(3-aminocyclopentanecarbonyl)amino]-2-methylbenzamide;hydrochloride
CID 119771531
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CID 115377268
3-amino-N-(4-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
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CID 119730951
3-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 119730952
3-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]cyclopentane-1-carboxamide
CID 119798958
3-amino-N-(4-bromo-3-methylphenyl)cyclohexane-1-carboxamide
CID 63042324
3-amino-N-[4-(carbamoylamino)-3-methoxyphenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119779701
3-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]cyclopentane-1-carboxamide
CID 119849038
3-amino-N-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670664
3-amino-N-(3-chloro-4-methoxyphenyl)cyclopentane-1-carboxamide
CID 66030670
N-(4-acetamido-3-methoxyphenyl)-3-aminocyclopentane-1-carboxamide
CID 66030500

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride (CID 119670627) is 3-amino-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride is Cc1ccc(NC(=O)C2CCC(N)C2)cc1C.Cl.
What is the InChIKey of 3-amino-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is KXXNNVOBYXOOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.ClH/c1-9-3-6-13(7-10(9)2)16-14(17)11-4-5-12(15)8-11;/h3,6-7,11-12H,4-5,8,15H2,1-2H3,(H,16,17);1H.
What are the key properties of 3-amino-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 268.79 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119670627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).