2-(4-methylphenyl)-2-oxo-N,N-bis(prop-2-enyl)acetamide

C15H17NO2 — CID 78843339

IUPAC2-(4-methylphenyl)-2-oxo-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)C(=O)c1ccc(C)cc1
InChIInChI=1S/C15H17NO2/c1-4-10-16(11-5-2)15(18)14(17)13-8-6-12(3)7-9-13/h4-9H,1-2,10-11H2,3H3
InChIKeyQTFGNEZFCMTLBX-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.38
Rot. Bonds6

About 2-(4-methylphenyl)-2-oxo-N,N-bis(prop-2-enyl)acetamide

2-(4-methylphenyl)-2-oxo-N,N-bis(prop-2-enyl)acetamide (PubChem CID 78843339) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(4-methylphenyl)-2-oxo-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-2-oxo-N,N-bis(prop-2-enyl)acetamide
PubChem CID78843339
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name2-(4-methylphenyl)-2-oxo-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)C(=O)c1ccc(C)cc1
InChIInChI=1S/C15H17NO2/c1-4-10-16(11-5-2)15(18)14(17)13-8-6-12(3)7-9-13/h4-9H,1-2,10-11H2,3H3
InChIKeyQTFGNEZFCMTLBX-UHFFFAOYSA-N
XLogP2.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-acetyl-N,N-bis(prop-2-enyl)benzamide
CID 67089080
N-(3-amino-3-sulfanylidenepropyl)-4-methyl-N-prop-2-enylbenzamide
CID 82103830
4-[(4-methylphenyl)sulfamoyl]-N,N-bis(prop-2-enyl)benzamide
CID 35742323
1-N,1-N,3-N,3-N,5-N,5-N-hexakis(prop-2-enyl)benzene-1,3,5-tricarboxamide
CID 54167300
N-(2-hydroxy-4-methylphenyl)-N',N'-bis(prop-2-enyl)oxamide
CID 108516853
3-(4-methylphenyl)sulfonyl-1,1-bis(prop-2-enyl)urea
CID 4628428
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] (E)-3-(4-methylphenyl)prop-2-enoate
CID 55305010
prop-2-enoic acid;1,4-xylene
CID 67822281
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 4-[methyl-(4-methylphenyl)sulfonylamino]benzoate
CID 16514948
N-(3-amino-3-sulfanylidenepropyl)-3-(4-methylphenyl)-N-prop-2-enylpropanamide
CID 82103858
N-ethenyl-4-methylbenzamide
CID 22624715
(Z)-1,2,3,4-tetrakis(4-methylphenyl)but-2-ene-1,4-dione
CID 12516207

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-2-oxo-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-(4-methylphenyl)-2-oxo-N,N-bis(prop-2-enyl)acetamide (CID 78843339) is 2-(4-methylphenyl)-2-oxo-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-(4-methylphenyl)-2-oxo-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-(4-methylphenyl)-2-oxo-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)C(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(4-methylphenyl)-2-oxo-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is QTFGNEZFCMTLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-4-10-16(11-5-2)15(18)14(17)13-8-6-12(3)7-9-13/h4-9H,1-2,10-11H2,3H3.
What are the key properties of 2-(4-methylphenyl)-2-oxo-N,N-bis(prop-2-enyl)acetamide?
2-(4-methylphenyl)-2-oxo-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 243.31 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-2-oxo-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 78843339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).