N-cyclohexyl-2-(2,5-dimethylphenyl)-2-oxoacetamide

C16H21NO2 — CID 82121275

IUPACN-cyclohexyl-2-(2,5-dimethylphenyl)-2-oxoacetamide
SMILESCc1ccc(C)c(C(=O)C(=O)NC2CCCCC2)c1
InChIInChI=1S/C16H21NO2/c1-11-8-9-12(2)14(10-11)15(18)16(19)17-13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3,(H,17,19)
InChIKeyWUUUWZNVYAJQQD-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.94
Rot. Bonds3

About N-cyclohexyl-2-(2,5-dimethylphenyl)-2-oxoacetamide

N-cyclohexyl-2-(2,5-dimethylphenyl)-2-oxoacetamide (PubChem CID 82121275) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-cyclohexyl-2-(2,5-dimethylphenyl)-2-oxoacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2,5-dimethylphenyl)-2-oxoacetamide
PubChem CID82121275
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-cyclohexyl-2-(2,5-dimethylphenyl)-2-oxoacetamide
SMILESCc1ccc(C)c(C(=O)C(=O)NC2CCCCC2)c1
InChIInChI=1S/C16H21NO2/c1-11-8-9-12(2)14(10-11)15(18)16(19)17-13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3,(H,17,19)
InChIKeyWUUUWZNVYAJQQD-UHFFFAOYSA-N
XLogP2.94
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.94
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

N-cycloheptyl-2-(2,4-dimethylphenyl)-2-oxoacetamide
CID 94282724
N-cyclopentyl-2-(2,4-dimethylphenyl)-2-oxoacetamide
CID 82118308
N-cyclohexyl-2,5-dimethylbenzamide
CID 925443
N-cyclododecyl-2,4-dimethylbenzamide
CID 19656258
2-(cycloheptylamino)-1-(2,5-dimethylphenyl)ethanone
CID 82121333
5-chloro-N-cyclohexyl-2-methylbenzamide
CID 83407385
N-cyclobutyl-2-hydroxy-4-methylbenzamide
CID 62416758
N-cycloheptyl-2-(2-methoxyphenyl)-2-oxoacetamide
CID 94283969
N-cyclohexyl-2-(2,4-dimethylphenyl)acetamide
CID 56922648
N-cyclohexyl-5-methyl-2-(propylamino)benzamide
CID 62509311
N-cyclooctyl-4-methylbenzamide
CID 3995245
N-cycloheptyl-N'-(4-methylphenyl)oxamide
CID 2287607

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2,5-dimethylphenyl)-2-oxoacetamide?
The IUPAC name of N-cyclohexyl-2-(2,5-dimethylphenyl)-2-oxoacetamide (CID 82121275) is N-cyclohexyl-2-(2,5-dimethylphenyl)-2-oxoacetamide.
What is the SMILES notation for N-cyclohexyl-2-(2,5-dimethylphenyl)-2-oxoacetamide?
The canonical SMILES for N-cyclohexyl-2-(2,5-dimethylphenyl)-2-oxoacetamide is Cc1ccc(C)c(C(=O)C(=O)NC2CCCCC2)c1.
What is the InChIKey of N-cyclohexyl-2-(2,5-dimethylphenyl)-2-oxoacetamide?
The InChIKey is WUUUWZNVYAJQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-11-8-9-12(2)14(10-11)15(18)16(19)17-13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3,(H,17,19).
What are the key properties of N-cyclohexyl-2-(2,5-dimethylphenyl)-2-oxoacetamide?
N-cyclohexyl-2-(2,5-dimethylphenyl)-2-oxoacetamide has a molecular weight of 259.35 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2,5-dimethylphenyl)-2-oxoacetamide is sourced from PubChem (CID 82121275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).