4-(4-ethylphenyl)-4-oxo-N-pyridin-4-ylbutanamide

C17H18N2O2 — CID 27699850

IUPAC4-(4-ethylphenyl)-4-oxo-N-pyridin-4-ylbutanamide
SMILESCCc1ccc(C(=O)CCC(=O)Nc2ccncc2)cc1
InChIInChI=1S/C17H18N2O2/c1-2-13-3-5-14(6-4-13)16(20)7-8-17(21)19-15-9-11-18-12-10-15/h3-6,9-12H,2,7-8H2,1H3,(H,18,19,21)
InChIKeyBHGZVILIZUYMDI-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.25
Rot. Bonds6

About 4-(4-ethylphenyl)-4-oxo-N-pyridin-4-ylbutanamide

4-(4-ethylphenyl)-4-oxo-N-pyridin-4-ylbutanamide (PubChem CID 27699850) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-4-oxo-N-pyridin-4-ylbutanamide.

Molecular Properties

Compound Name4-(4-ethylphenyl)-4-oxo-N-pyridin-4-ylbutanamide
PubChem CID27699850
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name4-(4-ethylphenyl)-4-oxo-N-pyridin-4-ylbutanamide
SMILESCCc1ccc(C(=O)CCC(=O)Nc2ccncc2)cc1
InChIInChI=1S/C17H18N2O2/c1-2-13-3-5-14(6-4-13)16(20)7-8-17(21)19-15-9-11-18-12-10-15/h3-6,9-12H,2,7-8H2,1H3,(H,18,19,21)
InChIKeyBHGZVILIZUYMDI-UHFFFAOYSA-N
XLogP3.25
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 2443081
4-(4-ethylphenyl)-N-(4-methylsulfanylphenyl)-4-oxobutanamide
CID 24505212
4-ethyl-N-pyridin-4-ylbenzamide
CID 2712552
N-(3-bromophenyl)-4-(4-ethylphenyl)-4-oxobutanamide
CID 24643347
4-(4-ethylphenyl)-4-oxo-N-[4-(1,2,4-triazol-1-yl)phenyl]butanamide
CID 37122275
4-(4-ethylphenyl)-N-[4-(methylsulfamoyl)phenyl]-4-oxobutanamide
CID 18159034
3-[4-[[4-(4-ethylphenyl)-4-oxobutanoyl]amino]phenyl]-2-methylpropanoic acid
CID 120690041
N-[3-[(dimethylamino)methyl]phenyl]-4-(4-ethylphenyl)-4-oxobutanamide
CID 86979131
4-(4-ethylphenyl)-4-oxo-N-(2-propan-2-ylpyrazol-3-yl)butanamide
CID 78772185
N-(3-amino-4-methoxyphenyl)-4-(4-ethylphenyl)-4-oxobutanamide
CID 119419435
4-oxo-N-phenyl-4-(4-propylphenyl)butanamide
CID 9341017
methyl 4-[[4-oxo-4-(4-propylphenyl)butanoyl]amino]benzoate
CID 40724039

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-4-oxo-N-pyridin-4-ylbutanamide?
The IUPAC name of 4-(4-ethylphenyl)-4-oxo-N-pyridin-4-ylbutanamide (CID 27699850) is 4-(4-ethylphenyl)-4-oxo-N-pyridin-4-ylbutanamide.
What is the SMILES notation for 4-(4-ethylphenyl)-4-oxo-N-pyridin-4-ylbutanamide?
The canonical SMILES for 4-(4-ethylphenyl)-4-oxo-N-pyridin-4-ylbutanamide is CCc1ccc(C(=O)CCC(=O)Nc2ccncc2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-4-oxo-N-pyridin-4-ylbutanamide?
The InChIKey is BHGZVILIZUYMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-2-13-3-5-14(6-4-13)16(20)7-8-17(21)19-15-9-11-18-12-10-15/h3-6,9-12H,2,7-8H2,1H3,(H,18,19,21).
What are the key properties of 4-(4-ethylphenyl)-4-oxo-N-pyridin-4-ylbutanamide?
4-(4-ethylphenyl)-4-oxo-N-pyridin-4-ylbutanamide has a molecular weight of 282.34 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-4-oxo-N-pyridin-4-ylbutanamide is sourced from PubChem (CID 27699850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).