2-(4-tert-butylphenyl)-N-cyclopentyl-2-oxoacetamide

C17H23NO2 — CID 47418183

IUPAC2-(4-tert-butylphenyl)-N-cyclopentyl-2-oxoacetamide
SMILESCC(C)(C)c1ccc(C(=O)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C17H23NO2/c1-17(2,3)13-10-8-12(9-11-13)15(19)16(20)18-14-6-4-5-7-14/h8-11,14H,4-7H2,1-3H3,(H,18,20)
InChIKeyGQPHIMXIBQKZKU-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.23
Rot. Bonds3

About 2-(4-tert-butylphenyl)-N-cyclopentyl-2-oxoacetamide

2-(4-tert-butylphenyl)-N-cyclopentyl-2-oxoacetamide (PubChem CID 47418183) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-N-cyclopentyl-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-N-cyclopentyl-2-oxoacetamide
PubChem CID47418183
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2-(4-tert-butylphenyl)-N-cyclopentyl-2-oxoacetamide
SMILESCC(C)(C)c1ccc(C(=O)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C17H23NO2/c1-17(2,3)13-10-8-12(9-11-13)15(19)16(20)18-14-6-4-5-7-14/h8-11,14H,4-7H2,1-3H3,(H,18,20)
InChIKeyGQPHIMXIBQKZKU-UHFFFAOYSA-N
XLogP3.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(4-tert-butylphenyl)-N-(1,1-dioxothian-4-yl)-2-oxoacetamide
CID 167799380
N-cyclohexyl-2-(4-ethylphenyl)-2-oxoacetamide
CID 82121266
N-cyclohexyl-2-(4-methoxyphenyl)-2-oxoacetamide
CID 11414317
N-cyclohexyl-2-oxo-2-phenylacetamide
CID 11436176
2-(4-cyanophenyl)-N-cyclohexyl-2-oxoacetamide
CID 24853690
4-tert-butyl-N-[(1R,2S)-2-[(4-tert-butylbenzoyl)amino]cyclohexyl]benzamide
CID 7311333
2-(4-cyclohexylphenyl)-N-cyclopropyl-2-oxoacetamide
CID 94281370
4-tert-butyl-N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 9208945
4-[(4-tert-butylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 119229777
4-tert-butyl-N-[(2R)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 2094670
4-tert-butyl-N-(4-oxocyclohexyl)benzamide
CID 43652861
1-(4-tert-butylphenyl)-2-(cycloheptylamino)ethanone
CID 82101744

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-N-cyclopentyl-2-oxoacetamide?
The IUPAC name of 2-(4-tert-butylphenyl)-N-cyclopentyl-2-oxoacetamide (CID 47418183) is 2-(4-tert-butylphenyl)-N-cyclopentyl-2-oxoacetamide.
What is the SMILES notation for 2-(4-tert-butylphenyl)-N-cyclopentyl-2-oxoacetamide?
The canonical SMILES for 2-(4-tert-butylphenyl)-N-cyclopentyl-2-oxoacetamide is CC(C)(C)c1ccc(C(=O)C(=O)NC2CCCC2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-N-cyclopentyl-2-oxoacetamide?
The InChIKey is GQPHIMXIBQKZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-17(2,3)13-10-8-12(9-11-13)15(19)16(20)18-14-6-4-5-7-14/h8-11,14H,4-7H2,1-3H3,(H,18,20).
What are the key properties of 2-(4-tert-butylphenyl)-N-cyclopentyl-2-oxoacetamide?
2-(4-tert-butylphenyl)-N-cyclopentyl-2-oxoacetamide has a molecular weight of 273.38 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-N-cyclopentyl-2-oxoacetamide is sourced from PubChem (CID 47418183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).