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

C14H19NO2 — CID 82116197

IUPACN-methyl-4-oxo-4-(2,4,6-trimethylphenyl)butanamide
SMILESCNC(=O)CCC(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C14H19NO2/c1-9-7-10(2)14(11(3)8-9)12(16)5-6-13(17)15-4/h7-8H,5-6H2,1-4H3,(H,15,17)
InChIKeyZERFZEBISMPSMC-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.32
Rot. Bonds4

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

N-methyl-4-oxo-4-(2,4,6-trimethylphenyl)butanamide (PubChem CID 82116197) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-methyl-4-oxo-4-(2,4,6-trimethylphenyl)butanamide.

Molecular Properties

Compound NameN-methyl-4-oxo-4-(2,4,6-trimethylphenyl)butanamide
PubChem CID82116197
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-methyl-4-oxo-4-(2,4,6-trimethylphenyl)butanamide
SMILESCNC(=O)CCC(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C14H19NO2/c1-9-7-10(2)14(11(3)8-9)12(16)5-6-13(17)15-4/h7-8H,5-6H2,1-4H3,(H,15,17)
InChIKeyZERFZEBISMPSMC-UHFFFAOYSA-N
XLogP2.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-4-oxo-4-(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

4-oxo-N-prop-2-enyl-4-(2,4,6-trimethylphenyl)butanamide
CID 94272860
4-oxo-4-(2,4,6-trimethylphenyl)butanamide
CID 82079539
N-methyl-5-oxo-5-(2,3,5,6-tetramethylphenyl)pentanamide
CID 94273911
1-(2,4,6-trimethylphenyl)pent-4-en-1-one
CID 83700582
3-anilino-1-(2,4,6-trimethylphenyl)propan-1-one
CID 94278612
4-(2-chloro-4-methylphenyl)-N-methyl-4-oxobutanamide
CID 158414196
1-(2-methoxy-4,6-dimethylphenyl)-3-(methylamino)propan-1-one
CID 96672338
2-methoxy-1-(2,4,6-trimethylphenyl)ethanone
CID 15502799
1-(2,4,6-trimethylphenyl)but-3-yn-1-one
CID 114962026
2-[[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]amino]propanoic acid
CID 82480575
2-(propan-2-ylamino)-1-(2,4,6-trimethylphenyl)ethanone
CID 82114243
4-(4-methoxy-3-methylphenyl)-N-methyl-4-oxobutanamide
CID 94262532

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-oxo-4-(2,4,6-trimethylphenyl)butanamide?
The IUPAC name of N-methyl-4-oxo-4-(2,4,6-trimethylphenyl)butanamide (CID 82116197) is N-methyl-4-oxo-4-(2,4,6-trimethylphenyl)butanamide.
What is the SMILES notation for N-methyl-4-oxo-4-(2,4,6-trimethylphenyl)butanamide?
The canonical SMILES for N-methyl-4-oxo-4-(2,4,6-trimethylphenyl)butanamide is CNC(=O)CCC(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of N-methyl-4-oxo-4-(2,4,6-trimethylphenyl)butanamide?
The InChIKey is ZERFZEBISMPSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9-7-10(2)14(11(3)8-9)12(16)5-6-13(17)15-4/h7-8H,5-6H2,1-4H3,(H,15,17).
What are the key properties of N-methyl-4-oxo-4-(2,4,6-trimethylphenyl)butanamide?
N-methyl-4-oxo-4-(2,4,6-trimethylphenyl)butanamide has a molecular weight of 233.31 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-oxo-4-(2,4,6-trimethylphenyl)butanamide is sourced from PubChem (CID 82116197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).