N-(4-ethylphenyl)-4-(4-methylphenyl)-4-oxobutanamide

C19H21NO2 — CID 2443081

IUPACN-(4-ethylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
SMILESCCc1ccc(NC(=O)CCC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H21NO2/c1-3-15-6-10-17(11-7-15)20-19(22)13-12-18(21)16-8-4-14(2)5-9-16/h4-11H,3,12-13H2,1-2H3,(H,20,22)
InChIKeyBQPWLMYCWIZVAH-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.16
Rot. Bonds6

About N-(4-ethylphenyl)-4-(4-methylphenyl)-4-oxobutanamide

N-(4-ethylphenyl)-4-(4-methylphenyl)-4-oxobutanamide (PubChem CID 2443081) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-(4-methylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
PubChem CID2443081
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC NameN-(4-ethylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
SMILESCCc1ccc(NC(=O)CCC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H21NO2/c1-3-15-6-10-17(11-7-15)20-19(22)13-12-18(21)16-8-4-14(2)5-9-16/h4-11H,3,12-13H2,1-2H3,(H,20,22)
InChIKeyBQPWLMYCWIZVAH-UHFFFAOYSA-N
XLogP4.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-ethylphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-oxobutanamide
CID 55346127
4-(4-ethylphenyl)-N-(4-methylsulfanylphenyl)-4-oxobutanamide
CID 24505212
4-(4-ethylphenyl)-4-oxo-N-pyridin-4-ylbutanamide
CID 27699850
4-(4-methylphenyl)-4-oxo-N-phenylbutanamide
CID 956933
N,N-diethyl-4-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide
CID 34317120
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-(4-methylphenyl)-4-oxo-4-(4-propan-2-ylphenyl)butanamide
CID 94322030
N-(4-ethylphenyl)-3-(4-methylanilino)propanamide
CID 109034443
4-(4-methylphenyl)-4-oxo-N-(4-propoxyphenyl)butanamide
CID 110493382
ethane;4-ethyl-N-(4-methylphenyl)benzamide
CID 143234775
methyl 4-[[4-oxo-4-(4-propylphenyl)butanoyl]amino]benzoate
CID 40724039

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-(4-methylphenyl)-4-oxobutanamide?
The IUPAC name of N-(4-ethylphenyl)-4-(4-methylphenyl)-4-oxobutanamide (CID 2443081) is N-(4-ethylphenyl)-4-(4-methylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-(4-ethylphenyl)-4-(4-methylphenyl)-4-oxobutanamide?
The canonical SMILES for N-(4-ethylphenyl)-4-(4-methylphenyl)-4-oxobutanamide is CCc1ccc(NC(=O)CCC(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-(4-methylphenyl)-4-oxobutanamide?
The InChIKey is BQPWLMYCWIZVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-3-15-6-10-17(11-7-15)20-19(22)13-12-18(21)16-8-4-14(2)5-9-16/h4-11H,3,12-13H2,1-2H3,(H,20,22).
What are the key properties of N-(4-ethylphenyl)-4-(4-methylphenyl)-4-oxobutanamide?
N-(4-ethylphenyl)-4-(4-methylphenyl)-4-oxobutanamide has a molecular weight of 295.38 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-(4-methylphenyl)-4-oxobutanamide is sourced from PubChem (CID 2443081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).