4-(2,4,6-trimethylphenyl)but-3-enamide

C13H17NO — CID 170797721

IUPAC4-(2,4,6-trimethylphenyl)but-3-enamide
SMILESCc1cc(C)c(C=CCC(N)=O)c(C)c1
InChIInChI=1S/C13H17NO/c1-9-7-10(2)12(11(3)8-9)5-4-6-13(14)15/h4-5,7-8H,6H2,1-3H3,(H2,14,15)
InChIKeyOCXOWGKJDRRRBT-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.50
Rot. Bonds3

About 4-(2,4,6-trimethylphenyl)but-3-enamide

4-(2,4,6-trimethylphenyl)but-3-enamide (PubChem CID 170797721) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 4-(2,4,6-trimethylphenyl)but-3-enamide.

Molecular Properties

Compound Name4-(2,4,6-trimethylphenyl)but-3-enamide
PubChem CID170797721
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name4-(2,4,6-trimethylphenyl)but-3-enamide
SMILESCc1cc(C)c(C=CCC(N)=O)c(C)c1
InChIInChI=1S/C13H17NO/c1-9-7-10(2)12(11(3)8-9)5-4-6-13(14)15/h4-5,7-8H,6H2,1-3H3,(H2,14,15)
InChIKeyOCXOWGKJDRRRBT-UHFFFAOYSA-N
XLogP2.50
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3,5-dimethylphenyl)but-3-enamide
CID 170797430
4-(4-amino-2,5-dimethylphenyl)but-3-enamide
CID 170797935
4-(3-fluoro-2-formyl-6-methylphenyl)but-3-enamide
CID 170798200
ethyl 4-(4-amino-2,6-dimethylphenyl)but-3-enoate
CID 170796171
4-(5-fluoro-2-methylphenyl)but-3-enamide
CID 170797411
4-[2,4,6-tri(propan-2-yl)phenyl]but-3-enamide
CID 170798906
2-(4-chlorobut-1-enyl)-1,3,5-trimethylbenzene
CID 170498967
4-anthracen-9-ylbut-3-enamide
CID 170798903
2-(4-amino-4-oxobut-1-enyl)-4-methylbenzoic acid
CID 170798190
4-(5-fluoro-3-methyl-2-pyridinyl)but-3-enamide
CID 170797592
ethyl 4-(4-methoxy-2,6-dimethylphenyl)but-3-enoate
CID 170796451
4-(6-chloro-4-methyl-3-pyridinyl)but-3-enamide
CID 170797595

Frequently Asked Questions

What is the IUPAC name of 4-(2,4,6-trimethylphenyl)but-3-enamide?
The IUPAC name of 4-(2,4,6-trimethylphenyl)but-3-enamide (CID 170797721) is 4-(2,4,6-trimethylphenyl)but-3-enamide.
What is the SMILES notation for 4-(2,4,6-trimethylphenyl)but-3-enamide?
The canonical SMILES for 4-(2,4,6-trimethylphenyl)but-3-enamide is Cc1cc(C)c(C=CCC(N)=O)c(C)c1.
What is the InChIKey of 4-(2,4,6-trimethylphenyl)but-3-enamide?
The InChIKey is OCXOWGKJDRRRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-9-7-10(2)12(11(3)8-9)5-4-6-13(14)15/h4-5,7-8H,6H2,1-3H3,(H2,14,15).
What are the key properties of 4-(2,4,6-trimethylphenyl)but-3-enamide?
4-(2,4,6-trimethylphenyl)but-3-enamide has a molecular weight of 203.28 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4,6-trimethylphenyl)but-3-enamide is sourced from PubChem (CID 170797721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).