4-methyl-N-(4-methylphenyl)-2-oxopent-3-enamide

C13H15NO2 — CID 53349566

IUPAC4-methyl-N-(4-methylphenyl)-2-oxopent-3-enamide
SMILESCC(C)=CC(=O)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C13H15NO2/c1-9(2)8-12(15)13(16)14-11-6-4-10(3)5-7-11/h4-8H,1-3H3,(H,14,16)
InChIKeyQSLJUOOYZNEVAZ-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.47
Rot. Bonds3

About 4-methyl-N-(4-methylphenyl)-2-oxopent-3-enamide

4-methyl-N-(4-methylphenyl)-2-oxopent-3-enamide (PubChem CID 53349566) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-methyl-N-(4-methylphenyl)-2-oxopent-3-enamide.

Molecular Properties

Compound Name4-methyl-N-(4-methylphenyl)-2-oxopent-3-enamide
PubChem CID53349566
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name4-methyl-N-(4-methylphenyl)-2-oxopent-3-enamide
SMILESCC(C)=CC(=O)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C13H15NO2/c1-9(2)8-12(15)13(16)14-11-6-4-10(3)5-7-11/h4-8H,1-3H3,(H,14,16)
InChIKeyQSLJUOOYZNEVAZ-UHFFFAOYSA-N
XLogP2.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylphenyl)acetamide
CID 7684
2-methyl-N-(4-methylphenyl)-3-sulfanylprop-2-enamide
CID 88971335
methanamine;N-(4-methylphenyl)acetamide
CID 142152295
4-(2,5-dimethoxyphenyl)-4-hydroxy-N-(4-methylphenyl)-2-oxobut-3-enamide
CID 158950005
(E)-2-ethenyl-N-(4-methylphenyl)but-2-enamide
CID 20735466
N-cyano-N'-(4-methylphenyl)oxamide
CID 79195305
1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea
CID 54178073
N-(4-fluorophenyl)acetamide;N-(4-methylphenyl)acetamide
CID 158705281
3-diazo-N-[4-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]-2-oxopropanamide
CID 85267047
2-(ethoxymethylidene)-N,N'-bis(4-methylphenyl)propanediamide
CID 7120921
(Z)-3-[amino(methyl)amino]-3-chloro-2-methyl-N-(4-methylphenyl)prop-2-enamide
CID 143053410
(2Z,4Z)-N,N'-bis(4-methylphenyl)-2,3,4,5-tetrapropylhexa-2,4-dienediamide
CID 101373282

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methylphenyl)-2-oxopent-3-enamide?
The IUPAC name of 4-methyl-N-(4-methylphenyl)-2-oxopent-3-enamide (CID 53349566) is 4-methyl-N-(4-methylphenyl)-2-oxopent-3-enamide.
What is the SMILES notation for 4-methyl-N-(4-methylphenyl)-2-oxopent-3-enamide?
The canonical SMILES for 4-methyl-N-(4-methylphenyl)-2-oxopent-3-enamide is CC(C)=CC(=O)C(=O)Nc1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-(4-methylphenyl)-2-oxopent-3-enamide?
The InChIKey is QSLJUOOYZNEVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9(2)8-12(15)13(16)14-11-6-4-10(3)5-7-11/h4-8H,1-3H3,(H,14,16).
What are the key properties of 4-methyl-N-(4-methylphenyl)-2-oxopent-3-enamide?
4-methyl-N-(4-methylphenyl)-2-oxopent-3-enamide has a molecular weight of 217.27 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methylphenyl)-2-oxopent-3-enamide is sourced from PubChem (CID 53349566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).