2-amino-N-(4-butan-2-ylphenyl)-1-methylcyclopentane-1-carboxamide

C17H26N2O — CID 82763771

IUPAC2-amino-N-(4-butan-2-ylphenyl)-1-methylcyclopentane-1-carboxamide
SMILESCCC(C)c1ccc(NC(=O)C2(C)CCCC2N)cc1
InChIInChI=1S/C17H26N2O/c1-4-12(2)13-7-9-14(10-8-13)19-16(20)17(3)11-5-6-15(17)18/h7-10,12,15H,4-6,11,18H2,1-3H3,(H,19,20)
InChIKeyGPZWSRFWRAXHKT-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.66
Rot. Bonds4

About 2-amino-N-(4-butan-2-ylphenyl)-1-methylcyclopentane-1-carboxamide

2-amino-N-(4-butan-2-ylphenyl)-1-methylcyclopentane-1-carboxamide (PubChem CID 82763771) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-amino-N-(4-butan-2-ylphenyl)-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-butan-2-ylphenyl)-1-methylcyclopentane-1-carboxamide
PubChem CID82763771
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-amino-N-(4-butan-2-ylphenyl)-1-methylcyclopentane-1-carboxamide
SMILESCCC(C)c1ccc(NC(=O)C2(C)CCCC2N)cc1
InChIInChI=1S/C17H26N2O/c1-4-12(2)13-7-9-14(10-8-13)19-16(20)17(3)11-5-6-15(17)18/h7-10,12,15H,4-6,11,18H2,1-3H3,(H,19,20)
InChIKeyGPZWSRFWRAXHKT-UHFFFAOYSA-N
XLogP3.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-methyl-N-[4-(methylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 82763880
2-amino-N-(3-chloro-4-methylphenyl)-1-methylcyclopentane-1-carboxamide
CID 82763741
2-amino-1-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopentane-1-carboxamide
CID 82766050
2-amino-1-methyl-N-(4-methyl-3-sulfamoylphenyl)cyclopentane-1-carboxamide
CID 82759601
methyl 5-[(2-amino-1-methylcyclopentanecarbonyl)amino]-2-chlorobenzoate
CID 82764559
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-cyclopentylacetate
CID 2343770
[2-(4-butan-2-ylanilino)-2-oxoethyl] 2-cyclopentylacetate
CID 3397154
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-methylcyclopentane-1-carboxamide
CID 82767463
N-(4-butan-2-ylphenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide
CID 3532407
2-amino-N-(4-butan-2-ylphenyl)acetamide
CID 43218233
2-[[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 9052723
N-(4-butan-2-ylphenyl)-4,4-dimethylcycloheptan-1-amine
CID 65083892

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-butan-2-ylphenyl)-1-methylcyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-(4-butan-2-ylphenyl)-1-methylcyclopentane-1-carboxamide (CID 82763771) is 2-amino-N-(4-butan-2-ylphenyl)-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(4-butan-2-ylphenyl)-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-(4-butan-2-ylphenyl)-1-methylcyclopentane-1-carboxamide is CCC(C)c1ccc(NC(=O)C2(C)CCCC2N)cc1.
What is the InChIKey of 2-amino-N-(4-butan-2-ylphenyl)-1-methylcyclopentane-1-carboxamide?
The InChIKey is GPZWSRFWRAXHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-12(2)13-7-9-14(10-8-13)19-16(20)17(3)11-5-6-15(17)18/h7-10,12,15H,4-6,11,18H2,1-3H3,(H,19,20).
What are the key properties of 2-amino-N-(4-butan-2-ylphenyl)-1-methylcyclopentane-1-carboxamide?
2-amino-N-(4-butan-2-ylphenyl)-1-methylcyclopentane-1-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-butan-2-ylphenyl)-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 82763771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).