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

C13H17NO2 — CID 82079539

IUPAC4-oxo-4-(2,4,6-trimethylphenyl)butanamide
SMILESCc1cc(C)c(C(=O)CCC(N)=O)c(C)c1
InChIInChI=1S/C13H17NO2/c1-8-6-9(2)13(10(3)7-8)11(15)4-5-12(14)16/h6-7H,4-5H2,1-3H3,(H2,14,16)
InChIKeyKBGUKPYUOZSZIQ-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.06
Rot. Bonds4

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

4-oxo-4-(2,4,6-trimethylphenyl)butanamide (PubChem CID 82079539) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4-oxo-4-(2,4,6-trimethylphenyl)butanamide.

Molecular Properties

Compound Name4-oxo-4-(2,4,6-trimethylphenyl)butanamide
PubChem CID82079539
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name4-oxo-4-(2,4,6-trimethylphenyl)butanamide
SMILESCc1cc(C)c(C(=O)CCC(N)=O)c(C)c1
InChIInChI=1S/C13H17NO2/c1-8-6-9(2)13(10(3)7-8)11(15)4-5-12(14)16/h6-7H,4-5H2,1-3H3,(H2,14,16)
InChIKeyKBGUKPYUOZSZIQ-UHFFFAOYSA-N
XLogP2.06
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-oxo-4-(2,4,6-trimethylphenyl)butanamide
CID 82116197
1-(2,4,6-trimethylphenyl)pent-4-en-1-one
CID 83700582
3-amino-1-(2-bromo-4,6-dimethylphenyl)propan-1-one
CID 84805177
4-oxo-N-prop-2-enyl-4-(2,4,6-trimethylphenyl)butanamide
CID 94272860
1-(2,4,6-trimethylphenyl)but-3-yn-1-one
CID 114962026
2-methoxy-1-(2,4,6-trimethylphenyl)ethanone
CID 15502799
2-[butyl-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]amino]acetamide
CID 62051917
3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one
CID 10802865
5-cyclopenta-2,4-dien-1-ylidene-5-hydroxy-1-(2,4,6-trimethylphenyl)pentan-1-one
CID 131710360
3-anilino-1-(2,4,6-trimethylphenyl)propan-1-one
CID 94278612
4-(2,6-dimethoxyphenyl)-4-oxobutanamide
CID 70615258
2-(propan-2-ylamino)-1-(2,4,6-trimethylphenyl)ethanone
CID 82114243

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(2,4,6-trimethylphenyl)butanamide?
The IUPAC name of 4-oxo-4-(2,4,6-trimethylphenyl)butanamide (CID 82079539) is 4-oxo-4-(2,4,6-trimethylphenyl)butanamide.
What is the SMILES notation for 4-oxo-4-(2,4,6-trimethylphenyl)butanamide?
The canonical SMILES for 4-oxo-4-(2,4,6-trimethylphenyl)butanamide is Cc1cc(C)c(C(=O)CCC(N)=O)c(C)c1.
What is the InChIKey of 4-oxo-4-(2,4,6-trimethylphenyl)butanamide?
The InChIKey is KBGUKPYUOZSZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-8-6-9(2)13(10(3)7-8)11(15)4-5-12(14)16/h6-7H,4-5H2,1-3H3,(H2,14,16).
What are the key properties of 4-oxo-4-(2,4,6-trimethylphenyl)butanamide?
4-oxo-4-(2,4,6-trimethylphenyl)butanamide has a molecular weight of 219.28 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(2,4,6-trimethylphenyl)butanamide is sourced from PubChem (CID 82079539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).