2-(4-cyclohexylphenyl)-2-oxo-N-propan-2-ylacetamide

C17H23NO2 — CID 94282738

IUPAC2-(4-cyclohexylphenyl)-2-oxo-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H23NO2/c1-12(2)18-17(20)16(19)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3,(H,18,20)
InChIKeyDXEHUTAUNWHLTC-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.44
Rot. Bonds4

About 2-(4-cyclohexylphenyl)-2-oxo-N-propan-2-ylacetamide

2-(4-cyclohexylphenyl)-2-oxo-N-propan-2-ylacetamide (PubChem CID 94282738) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(4-cyclohexylphenyl)-2-oxo-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-cyclohexylphenyl)-2-oxo-N-propan-2-ylacetamide
PubChem CID94282738
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2-(4-cyclohexylphenyl)-2-oxo-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H23NO2/c1-12(2)18-17(20)16(19)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3,(H,18,20)
InChIKeyDXEHUTAUNWHLTC-UHFFFAOYSA-N
XLogP3.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.44
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-cyclohexylphenyl)-N-cyclopropyl-2-oxoacetamide
CID 94281370
2-[(4-cyclohexylbenzoyl)amino]propanoic acid
CID 110466195
4-cyclobutyl-N-propan-2-ylbenzamide
CID 174282086
2-[(4-cyclopentylbenzoyl)amino]propanoic acid
CID 110466073
2-(4-cyclohexylphenyl)-2-oxoacetyl chloride
CID 11107786
2-[2-(4-cyclohexylphenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide
CID 8841087
2-(4-cyclohexylphenyl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
CID 44762851
methyl 2-[(4-cyclopentylbenzoyl)amino]propanoate
CID 110487402
4-cyclohexyl-N'-methylbenzohydrazide
CID 116846851
2-(4-cyclohexylbenzoyl)prop-2-enoic acid
CID 620989
3-(4-cyclohexylphenyl)-4-methylpentanoic acid
CID 52983807
1-(4-cycloheptylphenyl)propan-1-one
CID 174630933

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylphenyl)-2-oxo-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-cyclohexylphenyl)-2-oxo-N-propan-2-ylacetamide (CID 94282738) is 2-(4-cyclohexylphenyl)-2-oxo-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-cyclohexylphenyl)-2-oxo-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-cyclohexylphenyl)-2-oxo-N-propan-2-ylacetamide is CC(C)NC(=O)C(=O)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 2-(4-cyclohexylphenyl)-2-oxo-N-propan-2-ylacetamide?
The InChIKey is DXEHUTAUNWHLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-12(2)18-17(20)16(19)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3,(H,18,20).
What are the key properties of 2-(4-cyclohexylphenyl)-2-oxo-N-propan-2-ylacetamide?
2-(4-cyclohexylphenyl)-2-oxo-N-propan-2-ylacetamide has a molecular weight of 273.38 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylphenyl)-2-oxo-N-propan-2-ylacetamide is sourced from PubChem (CID 94282738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).