3-oxo-N-(2,4,6-trimethylphenyl)butanamide

C13H17NO2 — CID 793589

IUPAC3-oxo-N-(2,4,6-trimethylphenyl)butanamide
SMILESCC(=O)CC(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C13H17NO2/c1-8-5-9(2)13(10(3)6-8)14-12(16)7-11(4)15/h5-6H,7H2,1-4H3,(H,14,16)
InChIKeyGVBDGMRNGLFNRS-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.53
Rot. Bonds3

About 3-oxo-N-(2,4,6-trimethylphenyl)butanamide

3-oxo-N-(2,4,6-trimethylphenyl)butanamide (PubChem CID 793589) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-oxo-N-(2,4,6-trimethylphenyl)butanamide.

Molecular Properties

Compound Name3-oxo-N-(2,4,6-trimethylphenyl)butanamide
PubChem CID793589
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-oxo-N-(2,4,6-trimethylphenyl)butanamide
SMILESCC(=O)CC(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C13H17NO2/c1-8-5-9(2)13(10(3)6-8)14-12(16)7-11(4)15/h5-6H,7H2,1-4H3,(H,14,16)
InChIKeyGVBDGMRNGLFNRS-UHFFFAOYSA-N
XLogP2.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-oxo-N-(2,4,6-trimethylphenyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
N-(4-acetamidophenyl)-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108954449
N',N'-diethyl-N-(2,4,6-trimethylphenyl)propanediamide
CID 108951084
N,N'-bis(2,4,6-trimethylphenyl)oxamide
CID 13271247
2-(dimethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 138400573
1-N,2-N,3-N-tris(2,4,6-trimethylphenyl)propane-1,2,3-tricarboxamide
CID 67992232
4-bromo-N-(2,4,6-trimethylphenyl)butanamide
CID 18423533
N-(3-methylphenyl)-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108953012
3-oxo-N-[(2,4,6-trimethylphenyl)methyl]butanamide
CID 115176374
2-(N-acetyl-3,5-dimethylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 113168537
2-amino-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 119291379
2-(2,5-dimethylphenyl)-N-(2,4,6-trimethylphenyl)acetamide
CID 38020341

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-(2,4,6-trimethylphenyl)butanamide?
The IUPAC name of 3-oxo-N-(2,4,6-trimethylphenyl)butanamide (CID 793589) is 3-oxo-N-(2,4,6-trimethylphenyl)butanamide.
What is the SMILES notation for 3-oxo-N-(2,4,6-trimethylphenyl)butanamide?
The canonical SMILES for 3-oxo-N-(2,4,6-trimethylphenyl)butanamide is CC(=O)CC(=O)Nc1c(C)cc(C)cc1C.
What is the InChIKey of 3-oxo-N-(2,4,6-trimethylphenyl)butanamide?
The InChIKey is GVBDGMRNGLFNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-8-5-9(2)13(10(3)6-8)14-12(16)7-11(4)15/h5-6H,7H2,1-4H3,(H,14,16).
What are the key properties of 3-oxo-N-(2,4,6-trimethylphenyl)butanamide?
3-oxo-N-(2,4,6-trimethylphenyl)butanamide has a molecular weight of 219.28 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(2,4,6-trimethylphenyl)butanamide is sourced from PubChem (CID 793589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).