N-butan-2-yl-2-oxo-2-(2,3,5,6-tetramethylphenyl)acetamide

C16H23NO2 — CID 82121773

IUPACN-butan-2-yl-2-oxo-2-(2,3,5,6-tetramethylphenyl)acetamide
SMILESCCC(C)NC(=O)C(=O)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C16H23NO2/c1-7-11(4)17-16(19)15(18)14-12(5)9(2)8-10(3)13(14)6/h8,11H,7H2,1-6H3,(H,17,19)
InChIKeyBFTMLCDBTJIKSL-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.02
Rot. Bonds4

About N-butan-2-yl-2-oxo-2-(2,3,5,6-tetramethylphenyl)acetamide

N-butan-2-yl-2-oxo-2-(2,3,5,6-tetramethylphenyl)acetamide (PubChem CID 82121773) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-butan-2-yl-2-oxo-2-(2,3,5,6-tetramethylphenyl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-oxo-2-(2,3,5,6-tetramethylphenyl)acetamide
PubChem CID82121773
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-butan-2-yl-2-oxo-2-(2,3,5,6-tetramethylphenyl)acetamide
SMILESCCC(C)NC(=O)C(=O)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C16H23NO2/c1-7-11(4)17-16(19)15(18)14-12(5)9(2)8-10(3)13(14)6/h8,11H,7H2,1-6H3,(H,17,19)
InChIKeyBFTMLCDBTJIKSL-UHFFFAOYSA-N
XLogP3.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.02
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

N-[(2R)-butan-2-yl]-2,3,4,5,6-pentamethylbenzamide
CID 95358520
N'-butan-2-yl-N-(3,4-dimethylphenyl)oxamide
CID 3102423
N'-[(2R)-butan-2-yl]oxamide
CID 124605597
N'-butan-2-yl-N-(4-hydroxy-2-methylphenyl)oxamide
CID 108505393
N-(4-bromo-3-methylphenyl)-N'-butan-2-yloxamide
CID 2926820
3-amino-N-butan-2-yl-4-methylbenzamide
CID 16771437
2-methyl-3-oxo-3-(2,3,5,6-tetramethylphenyl)propanoic acid
CID 116918196
2-[(2,3,5,6-tetramethylanilino)methyl]butanoic acid
CID 115249694
N-butan-2-yl-2-(2,5-dimethoxyphenyl)-2-oxoacetamide
CID 112510921
N-butan-2-yl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoacetamide
CID 82122108
N'-butan-2-yl-N-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 44996041
N'-butan-2-yl-N-[(2-methylphenyl)methyl]oxamide
CID 17201961

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-oxo-2-(2,3,5,6-tetramethylphenyl)acetamide?
The IUPAC name of N-butan-2-yl-2-oxo-2-(2,3,5,6-tetramethylphenyl)acetamide (CID 82121773) is N-butan-2-yl-2-oxo-2-(2,3,5,6-tetramethylphenyl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-oxo-2-(2,3,5,6-tetramethylphenyl)acetamide?
The canonical SMILES for N-butan-2-yl-2-oxo-2-(2,3,5,6-tetramethylphenyl)acetamide is CCC(C)NC(=O)C(=O)c1c(C)c(C)cc(C)c1C.
What is the InChIKey of N-butan-2-yl-2-oxo-2-(2,3,5,6-tetramethylphenyl)acetamide?
The InChIKey is BFTMLCDBTJIKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-7-11(4)17-16(19)15(18)14-12(5)9(2)8-10(3)13(14)6/h8,11H,7H2,1-6H3,(H,17,19).
What are the key properties of N-butan-2-yl-2-oxo-2-(2,3,5,6-tetramethylphenyl)acetamide?
N-butan-2-yl-2-oxo-2-(2,3,5,6-tetramethylphenyl)acetamide has a molecular weight of 261.37 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-oxo-2-(2,3,5,6-tetramethylphenyl)acetamide is sourced from PubChem (CID 82121773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).