N-(2,6-dimethylphenyl)but-3-enamide

C12H15NO — CID 90820575

IUPACN-(2,6-dimethylphenyl)but-3-enamide
SMILESC=CCC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C12H15NO/c1-4-6-11(14)13-12-9(2)7-5-8-10(12)3/h4-5,7-8H,1,6H2,2-3H3,(H,13,14)
InChIKeyWNLYHEMEONMYAQ-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.82
Rot. Bonds3

About N-(2,6-dimethylphenyl)but-3-enamide

N-(2,6-dimethylphenyl)but-3-enamide (PubChem CID 90820575) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)but-3-enamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)but-3-enamide
PubChem CID90820575
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC NameN-(2,6-dimethylphenyl)but-3-enamide
SMILESC=CCC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C12H15NO/c1-4-6-11(14)13-12-9(2)7-5-8-10(12)3/h4-5,7-8H,1,6H2,2-3H3,(H,13,14)
InChIKeyWNLYHEMEONMYAQ-UHFFFAOYSA-N
XLogP2.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[2-(2,6-dimethylanilino)-2-oxoethyl]-diethyl-prop-2-enylazanium chloride
CID 21463
N-(2,6-dimethylphenyl)-3-hydroxypropanamide
CID 82112001
4-(2,6-dimethylanilino)-2-methylidene-4-oxobutanoic acid
CID 14449100
N-(2,6-dimethylphenyl)tetradecanamide
CID 54789598
N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
sodium N-(2,6-dimethylphenyl)-2-methoxyacetamide
CID 19042259
N'-(2,6-dimethylphenyl)-N-(2-methylphenyl)propanediamide
CID 108952911
3-(2,6-dimethylanilino)-N-(2,6-dimethylphenyl)propanamide
CID 109035764
N-(2,6-dimethylphenyl)-2-[methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetamide
CID 27243525
[2-(2,6-dimethylanilino)-2-oxoethyl] acetate
CID 716418
[2-(2,6-dimethylanilino)-2-oxoethyl]-triethylazanium
CID 3925
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;formic acid
CID 166652856

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)but-3-enamide?
The IUPAC name of N-(2,6-dimethylphenyl)but-3-enamide (CID 90820575) is N-(2,6-dimethylphenyl)but-3-enamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)but-3-enamide?
The canonical SMILES for N-(2,6-dimethylphenyl)but-3-enamide is C=CCC(=O)Nc1c(C)cccc1C.
What is the InChIKey of N-(2,6-dimethylphenyl)but-3-enamide?
The InChIKey is WNLYHEMEONMYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-4-6-11(14)13-12-9(2)7-5-8-10(12)3/h4-5,7-8H,1,6H2,2-3H3,(H,13,14).
What are the key properties of N-(2,6-dimethylphenyl)but-3-enamide?
N-(2,6-dimethylphenyl)but-3-enamide has a molecular weight of 189.26 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)but-3-enamide is sourced from PubChem (CID 90820575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).