N-cyclohexyl-2-(4-ethylphenyl)-2-oxoacetamide

C16H21NO2 — CID 82121266

IUPACN-cyclohexyl-2-(4-ethylphenyl)-2-oxoacetamide
SMILESCCc1ccc(C(=O)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C16H21NO2/c1-2-12-8-10-13(11-9-12)15(18)16(19)17-14-6-4-3-5-7-14/h8-11,14H,2-7H2,1H3,(H,17,19)
InChIKeyHBFCSRQSXYTJMY-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.88
Rot. Bonds4

About N-cyclohexyl-2-(4-ethylphenyl)-2-oxoacetamide

N-cyclohexyl-2-(4-ethylphenyl)-2-oxoacetamide (PubChem CID 82121266) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-ethylphenyl)-2-oxoacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-ethylphenyl)-2-oxoacetamide
PubChem CID82121266
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-cyclohexyl-2-(4-ethylphenyl)-2-oxoacetamide
SMILESCCc1ccc(C(=O)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C16H21NO2/c1-2-12-8-10-13(11-9-12)15(18)16(19)17-14-6-4-3-5-7-14/h8-11,14H,2-7H2,1H3,(H,17,19)
InChIKeyHBFCSRQSXYTJMY-UHFFFAOYSA-N
XLogP2.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.88
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-cyclohexyl-2-oxo-2-phenylacetamide
CID 11436176
N-cyclohexyl-2-(4-methoxyphenyl)-2-oxoacetamide
CID 11414317
2-(4-tert-butylphenyl)-N-cyclopentyl-2-oxoacetamide
CID 47418183
2-(4-cyanophenyl)-N-cyclohexyl-2-oxoacetamide
CID 24853690
2-(cyclooctylamino)-1-(4-ethylphenyl)ethanone
CID 82101307
2-(4-cyclohexylphenyl)-N-cyclopropyl-2-oxoacetamide
CID 94281370
N-cycloheptyl-N'-(4-ethylphenyl)propanediamide
CID 108951571
(Z)-N-cyclooctyl-3-(4-ethylphenyl)prop-2-enamide
CID 19579728
2-(cyclopentylamino)-1-(4-ethylphenyl)propan-1-one
CID 82100230
1-cyclohexyl-3-(4-ethylphenyl)sulfonylurea
CID 10495173
3-[(4-ethylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63043093
N-cycloheptyl-2-(4-ethylanilino)pyrimidine-5-carboxamide
CID 109263102

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-ethylphenyl)-2-oxoacetamide?
The IUPAC name of N-cyclohexyl-2-(4-ethylphenyl)-2-oxoacetamide (CID 82121266) is N-cyclohexyl-2-(4-ethylphenyl)-2-oxoacetamide.
What is the SMILES notation for N-cyclohexyl-2-(4-ethylphenyl)-2-oxoacetamide?
The canonical SMILES for N-cyclohexyl-2-(4-ethylphenyl)-2-oxoacetamide is CCc1ccc(C(=O)C(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-2-(4-ethylphenyl)-2-oxoacetamide?
The InChIKey is HBFCSRQSXYTJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-2-12-8-10-13(11-9-12)15(18)16(19)17-14-6-4-3-5-7-14/h8-11,14H,2-7H2,1H3,(H,17,19).
What are the key properties of N-cyclohexyl-2-(4-ethylphenyl)-2-oxoacetamide?
N-cyclohexyl-2-(4-ethylphenyl)-2-oxoacetamide has a molecular weight of 259.35 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-ethylphenyl)-2-oxoacetamide is sourced from PubChem (CID 82121266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).