N-(4-ethylphenyl)-3,3-dimethyl-2-oxobutanamide

C14H19NO2 — CID 51058469

IUPACN-(4-ethylphenyl)-3,3-dimethyl-2-oxobutanamide
SMILESCCc1ccc(NC(=O)C(=O)C(C)(C)C)cc1
InChIInChI=1S/C14H19NO2/c1-5-10-6-8-11(9-7-10)15-13(17)12(16)14(2,3)4/h6-9H,5H2,1-4H3,(H,15,17)
InChIKeyMVSSMEDFBLAUOH-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.80
Rot. Bonds3

About N-(4-ethylphenyl)-3,3-dimethyl-2-oxobutanamide

N-(4-ethylphenyl)-3,3-dimethyl-2-oxobutanamide (PubChem CID 51058469) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(4-ethylphenyl)-3,3-dimethyl-2-oxobutanamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-3,3-dimethyl-2-oxobutanamide
PubChem CID51058469
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-(4-ethylphenyl)-3,3-dimethyl-2-oxobutanamide
SMILESCCc1ccc(NC(=O)C(=O)C(C)(C)C)cc1
InChIInChI=1S/C14H19NO2/c1-5-10-6-8-11(9-7-10)15-13(17)12(16)14(2,3)4/h6-9H,5H2,1-4H3,(H,15,17)
InChIKeyMVSSMEDFBLAUOH-UHFFFAOYSA-N
XLogP2.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.80
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

3,3-dimethyl-2-oxo-N-(4-propanoylphenyl)butanamide
CID 51058470
1-(4-tert-butylphenyl)-3-(4-ethylphenyl)urea
CID 58441349
(2S)-2-bromo-N-(4-ethylphenyl)butanamide
CID 51659893
1-(4-ethylphenyl)-3-methylurea
CID 54250791
4-[(4-ethylphenyl)carbamoylamino]benzoic acid
CID 23551476
N'-[(2S)-butan-2-yl]-N-(4-ethylphenyl)oxamide
CID 41312150
N-(4-ethylphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide
CID 3604613
N'-(4-ethylphenyl)-N-prop-2-enyloxamide
CID 7541573
1-ethyl-3-(4-ethylphenyl)urea
CID 20721116
ethane;1-(4-ethylphenyl)-3-methylurea
CID 143679761
ethyl 4-[[3-(4-ethylanilino)-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108968302
N-(4-ethylphenyl)-3-hydroxy-2-iminobutanamide
CID 90152027

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-3,3-dimethyl-2-oxobutanamide?
The IUPAC name of N-(4-ethylphenyl)-3,3-dimethyl-2-oxobutanamide (CID 51058469) is N-(4-ethylphenyl)-3,3-dimethyl-2-oxobutanamide.
What is the SMILES notation for N-(4-ethylphenyl)-3,3-dimethyl-2-oxobutanamide?
The canonical SMILES for N-(4-ethylphenyl)-3,3-dimethyl-2-oxobutanamide is CCc1ccc(NC(=O)C(=O)C(C)(C)C)cc1.
What is the InChIKey of N-(4-ethylphenyl)-3,3-dimethyl-2-oxobutanamide?
The InChIKey is MVSSMEDFBLAUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-5-10-6-8-11(9-7-10)15-13(17)12(16)14(2,3)4/h6-9H,5H2,1-4H3,(H,15,17).
What are the key properties of N-(4-ethylphenyl)-3,3-dimethyl-2-oxobutanamide?
N-(4-ethylphenyl)-3,3-dimethyl-2-oxobutanamide has a molecular weight of 233.31 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-3,3-dimethyl-2-oxobutanamide is sourced from PubChem (CID 51058469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).