(E)-2-ethenyl-N-(4-methylphenyl)but-2-enamide

C13H15NO — CID 20735466

IUPAC(E)-2-ethenyl-N-(4-methylphenyl)but-2-enamide
SMILESC=C/C(=C\C)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C13H15NO/c1-4-11(5-2)13(15)14-12-8-6-10(3)7-9-12/h4-9H,1H2,2-3H3,(H,14,15)/b11-5+
InChIKeyCXXBYUUVQJOAAM-VZUCSPMQSA-N
MW201.27 g/mol
LogP3.07
Rot. Bonds3

About (E)-2-ethenyl-N-(4-methylphenyl)but-2-enamide

(E)-2-ethenyl-N-(4-methylphenyl)but-2-enamide (PubChem CID 20735466) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is (E)-2-ethenyl-N-(4-methylphenyl)but-2-enamide.

Molecular Properties

Compound Name(E)-2-ethenyl-N-(4-methylphenyl)but-2-enamide
PubChem CID20735466
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name(E)-2-ethenyl-N-(4-methylphenyl)but-2-enamide
SMILESC=C/C(=C\C)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C13H15NO/c1-4-11(5-2)13(15)14-12-8-6-10(3)7-9-12/h4-9H,1H2,2-3H3,(H,14,15)/b11-5+
InChIKeyCXXBYUUVQJOAAM-VZUCSPMQSA-N
XLogP3.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-buta-1,3-dien-2-yl-4-methylaniline
CID 143234839
N-buta-1,3-dien-2-yl-4-methylaniline;ethane
CID 143234838
tert-butyl N-[[4-[[(E)-2-ethenylbut-2-enoyl]amino]phenyl]methyl]carbamate;ethane
CID 176920069
N-(4-methylphenyl)acetamide
CID 7684
4-methyl-N-(4-methylphenyl)-2-oxopent-3-enamide
CID 53349566
2-methyl-N-(4-methylphenyl)-3-sulfanylprop-2-enamide
CID 88971335
prop-2-enoic acid;1,4-xylene
CID 67822281
N-cyano-N'-(4-methylphenyl)oxamide
CID 79195305
methanamine;N-(4-methylphenyl)acetamide
CID 142152295
1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea
CID 54178073
S-[(3E)-hexa-1,3,5-trien-3-yl] N-(4-methylphenyl)carbamothioate
CID 155719046
1-(4-methylphenyl)-3-[(E)-prop-1-enyl]urea
CID 108909389

Frequently Asked Questions

What is the IUPAC name of (E)-2-ethenyl-N-(4-methylphenyl)but-2-enamide?
The IUPAC name of (E)-2-ethenyl-N-(4-methylphenyl)but-2-enamide (CID 20735466) is (E)-2-ethenyl-N-(4-methylphenyl)but-2-enamide.
What is the SMILES notation for (E)-2-ethenyl-N-(4-methylphenyl)but-2-enamide?
The canonical SMILES for (E)-2-ethenyl-N-(4-methylphenyl)but-2-enamide is C=C/C(=C\C)C(=O)Nc1ccc(C)cc1.
What is the InChIKey of (E)-2-ethenyl-N-(4-methylphenyl)but-2-enamide?
The InChIKey is CXXBYUUVQJOAAM-VZUCSPMQSA-N. The full InChI is InChI=1S/C13H15NO/c1-4-11(5-2)13(15)14-12-8-6-10(3)7-9-12/h4-9H,1H2,2-3H3,(H,14,15)/b11-5+.
What are the key properties of (E)-2-ethenyl-N-(4-methylphenyl)but-2-enamide?
(E)-2-ethenyl-N-(4-methylphenyl)but-2-enamide has a molecular weight of 201.27 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethenyl-N-(4-methylphenyl)but-2-enamide is sourced from PubChem (CID 20735466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).