3-methyl-2-(4-methylanilino)but-3-enamide

C12H16N2O — CID 114784358

IUPAC3-methyl-2-(4-methylanilino)but-3-enamide
SMILESC=C(C)C(Nc1ccc(C)cc1)C(N)=O
InChIInChI=1S/C12H16N2O/c1-8(2)11(12(13)15)14-10-6-4-9(3)5-7-10/h4-7,11,14H,1H2,2-3H3,(H2,13,15)
InChIKeyUBBBTTAGTBOYQX-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.84
Rot. Bonds4

About 3-methyl-2-(4-methylanilino)but-3-enamide

3-methyl-2-(4-methylanilino)but-3-enamide (PubChem CID 114784358) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-methyl-2-(4-methylanilino)but-3-enamide.

Molecular Properties

Compound Name3-methyl-2-(4-methylanilino)but-3-enamide
PubChem CID114784358
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-methyl-2-(4-methylanilino)but-3-enamide
SMILESC=C(C)C(Nc1ccc(C)cc1)C(N)=O
InChIInChI=1S/C12H16N2O/c1-8(2)11(12(13)15)14-10-6-4-9(3)5-7-10/h4-7,11,14H,1H2,2-3H3,(H2,13,15)
InChIKeyUBBBTTAGTBOYQX-UHFFFAOYSA-N
XLogP1.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-methylanilino)but-3-enamide?
The IUPAC name of 3-methyl-2-(4-methylanilino)but-3-enamide (CID 114784358) is 3-methyl-2-(4-methylanilino)but-3-enamide.
What is the SMILES notation for 3-methyl-2-(4-methylanilino)but-3-enamide?
The canonical SMILES for 3-methyl-2-(4-methylanilino)but-3-enamide is C=C(C)C(Nc1ccc(C)cc1)C(N)=O.
What is the InChIKey of 3-methyl-2-(4-methylanilino)but-3-enamide?
The InChIKey is UBBBTTAGTBOYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8(2)11(12(13)15)14-10-6-4-9(3)5-7-10/h4-7,11,14H,1H2,2-3H3,(H2,13,15).
What are the key properties of 3-methyl-2-(4-methylanilino)but-3-enamide?
3-methyl-2-(4-methylanilino)but-3-enamide has a molecular weight of 204.27 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-methylanilino)but-3-enamide is sourced from PubChem (CID 114784358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).