3-amino-N-[3-(dimethylamino)-4-methylphenyl]cyclopentane-1-carboxamide

C15H23N3O — CID 115377268

IUPAC3-amino-N-[3-(dimethylamino)-4-methylphenyl]cyclopentane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCC(N)C2)cc1N(C)C
InChIInChI=1S/C15H23N3O/c1-10-4-7-13(9-14(10)18(2)3)17-15(19)11-5-6-12(16)8-11/h4,7,9,11-12H,5-6,8,16H2,1-3H3,(H,17,19)
InChIKeyJXARLLNDHVGYAF-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.13
Rot. Bonds3

About 3-amino-N-[3-(dimethylamino)-4-methylphenyl]cyclopentane-1-carboxamide

3-amino-N-[3-(dimethylamino)-4-methylphenyl]cyclopentane-1-carboxamide (PubChem CID 115377268) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-amino-N-[3-(dimethylamino)-4-methylphenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(dimethylamino)-4-methylphenyl]cyclopentane-1-carboxamide
PubChem CID115377268
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-amino-N-[3-(dimethylamino)-4-methylphenyl]cyclopentane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCC(N)C2)cc1N(C)C
InChIInChI=1S/C15H23N3O/c1-10-4-7-13(9-14(10)18(2)3)17-15(19)11-5-6-12(16)8-11/h4,7,9,11-12H,5-6,8,16H2,1-3H3,(H,17,19)
InChIKeyJXARLLNDHVGYAF-UHFFFAOYSA-N
XLogP2.13
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670627
4-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]cyclohexane-1-carboxamide
CID 104963718
5-[(3-aminocyclopentanecarbonyl)amino]-2-methylbenzamide;hydrochloride
CID 119771531
3-amino-N-(4-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670946
N-[3-(dimethylamino)-4-methylphenyl]piperidine-3-carboxamide
CID 115377234
3-amino-N-[3-(tert-butylsulfamoyl)-4-methylphenyl]cyclopentane-1-carboxamide
CID 119798958
3-amino-N-[2-(dimethylamino)phenyl]cyclopentane-1-carboxamide
CID 66010603
3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxamide
CID 66031472
3-amino-N-[5-bromo-2-(dimethylamino)phenyl]cyclopentane-1-carboxamide
CID 66009775
3-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopentane-1-carboxamide
CID 66030886
3-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 119730952
4-amino-N-(3-bromo-4-methylphenyl)cyclohexane-1-carboxamide
CID 55201939

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(dimethylamino)-4-methylphenyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[3-(dimethylamino)-4-methylphenyl]cyclopentane-1-carboxamide (CID 115377268) is 3-amino-N-[3-(dimethylamino)-4-methylphenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(dimethylamino)-4-methylphenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[3-(dimethylamino)-4-methylphenyl]cyclopentane-1-carboxamide is Cc1ccc(NC(=O)C2CCC(N)C2)cc1N(C)C.
What is the InChIKey of 3-amino-N-[3-(dimethylamino)-4-methylphenyl]cyclopentane-1-carboxamide?
The InChIKey is JXARLLNDHVGYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-10-4-7-13(9-14(10)18(2)3)17-15(19)11-5-6-12(16)8-11/h4,7,9,11-12H,5-6,8,16H2,1-3H3,(H,17,19).
What are the key properties of 3-amino-N-[3-(dimethylamino)-4-methylphenyl]cyclopentane-1-carboxamide?
3-amino-N-[3-(dimethylamino)-4-methylphenyl]cyclopentane-1-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(dimethylamino)-4-methylphenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 115377268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).