4-(4-ethylphenyl)-N-(3-methylbutan-2-yl)-4-oxobutanamide

C17H25NO2 — CID 78780258

IUPAC4-(4-ethylphenyl)-N-(3-methylbutan-2-yl)-4-oxobutanamide
SMILESCCc1ccc(C(=O)CCC(=O)NC(C)C(C)C)cc1
InChIInChI=1S/C17H25NO2/c1-5-14-6-8-15(9-7-14)16(19)10-11-17(20)18-13(4)12(2)3/h6-9,12-13H,5,10-11H2,1-4H3,(H,18,20)
InChIKeyHYXSBOUOUNXFKO-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.37
Rot. Bonds7

About 4-(4-ethylphenyl)-N-(3-methylbutan-2-yl)-4-oxobutanamide

4-(4-ethylphenyl)-N-(3-methylbutan-2-yl)-4-oxobutanamide (PubChem CID 78780258) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-N-(3-methylbutan-2-yl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-ethylphenyl)-N-(3-methylbutan-2-yl)-4-oxobutanamide
PubChem CID78780258
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name4-(4-ethylphenyl)-N-(3-methylbutan-2-yl)-4-oxobutanamide
SMILESCCc1ccc(C(=O)CCC(=O)NC(C)C(C)C)cc1
InChIInChI=1S/C17H25NO2/c1-5-14-6-8-15(9-7-14)16(19)10-11-17(20)18-13(4)12(2)3/h6-9,12-13H,5,10-11H2,1-4H3,(H,18,20)
InChIKeyHYXSBOUOUNXFKO-UHFFFAOYSA-N
XLogP3.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylphenyl)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 99626723
3-[[4-(4-ethylphenyl)-4-oxobutanoyl]amino]-2-methylpropanoic acid
CID 120687518
4-(4-ethylphenyl)-N-(2-hydroxy-1-phenylethyl)-4-oxobutanamide
CID 110001369
2-(4-ethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 94124569
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(4-ethylphenyl)-4-oxobutanamide;hydrochloride
CID 119606616
N-(4-ethylphenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 2443081
3-[4-[[4-(4-ethylphenyl)-4-oxobutanoyl]amino]phenyl]-2-methylpropanoic acid
CID 120690041
4-(4-ethylphenyl)-4-oxo-N-(2-propan-2-ylpyrazol-3-yl)butanamide
CID 78772185
4-(4-ethylphenyl)-N-(3-methoxypropyl)-4-oxobutanamide
CID 94041532
4-(4-ethylphenyl)-N-[1-(3-nitrophenyl)ethyl]-4-oxobutanamide
CID 55924542
4-(4-ethylphenyl)-4-oxo-N-pyridin-4-ylbutanamide
CID 27699850
5-bromo-1-(4-ethylphenyl)pentan-1-one
CID 146006591

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-N-(3-methylbutan-2-yl)-4-oxobutanamide?
The IUPAC name of 4-(4-ethylphenyl)-N-(3-methylbutan-2-yl)-4-oxobutanamide (CID 78780258) is 4-(4-ethylphenyl)-N-(3-methylbutan-2-yl)-4-oxobutanamide.
What is the SMILES notation for 4-(4-ethylphenyl)-N-(3-methylbutan-2-yl)-4-oxobutanamide?
The canonical SMILES for 4-(4-ethylphenyl)-N-(3-methylbutan-2-yl)-4-oxobutanamide is CCc1ccc(C(=O)CCC(=O)NC(C)C(C)C)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-N-(3-methylbutan-2-yl)-4-oxobutanamide?
The InChIKey is HYXSBOUOUNXFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-5-14-6-8-15(9-7-14)16(19)10-11-17(20)18-13(4)12(2)3/h6-9,12-13H,5,10-11H2,1-4H3,(H,18,20).
What are the key properties of 4-(4-ethylphenyl)-N-(3-methylbutan-2-yl)-4-oxobutanamide?
4-(4-ethylphenyl)-N-(3-methylbutan-2-yl)-4-oxobutanamide has a molecular weight of 275.39 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-N-(3-methylbutan-2-yl)-4-oxobutanamide is sourced from PubChem (CID 78780258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).