2-methyl-N-[2-oxo-2-(2-oxoethylamino)ethyl]prop-2-enamide

C₈H₁₂N₂O₃ — CID 91498866

About 2-methyl-N-[2-oxo-2-(2-oxoethylamino)ethyl]prop-2-enamide

2-methyl-N-[2-oxo-2-(2-oxoethylamino)ethyl]prop-2-enamide (PubChem CID 91498866) has the molecular formula C₈H₁₂N₂O₃ and a molecular weight of 184.19 g/mol. Its IUPAC name is 2-methyl-N-[2-oxo-2-(2-oxoethylamino)ethyl]prop-2-enamide.

Molecular Properties

• Compound Name: 2-methyl-N-[2-oxo-2-(2-oxoethylamino)ethyl]prop-2-enamide
• PubChem CID: 91498866
• Molecular Formula: C₈H₁₂N₂O₃
• Molecular Weight: 184.19 g/mol
• Exact Mass: 184.08
• IUPAC Name: 2-methyl-N-[2-oxo-2-(2-oxoethylamino)ethyl]prop-2-enamide
• SMILES: C=C(C)C(=O)NCC(=O)NCC=O
• InChI: InChI=1S/C8H12N2O3/c1-6(2)8(13)10-5-7(12)9-3-4-11/h4H,1,3,5H2,2H3,(H,9,12)(H,10,13)
• InChIKey: NKZQJNUPCHAHEN-UHFFFAOYSA-N
• XLogP: -1.01
• TPSA: 75.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	184.19
LogP ≤ 5	-1.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-oxo-2-(2-oxoethylamino)ethyl]prop-2-enamide?

The IUPAC name of 2-methyl-N-[2-oxo-2-(2-oxoethylamino)ethyl]prop-2-enamide (CID 91498866) is 2-methyl-N-[2-oxo-2-(2-oxoethylamino)ethyl]prop-2-enamide.

What is the SMILES notation for 2-methyl-N-[2-oxo-2-(2-oxoethylamino)ethyl]prop-2-enamide?

The canonical SMILES for 2-methyl-N-[2-oxo-2-(2-oxoethylamino)ethyl]prop-2-enamide is C=C(C)C(=O)NCC(=O)NCC=O.

What is the InChIKey of 2-methyl-N-[2-oxo-2-(2-oxoethylamino)ethyl]prop-2-enamide?

The InChIKey is NKZQJNUPCHAHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-6(2)8(13)10-5-7(12)9-3-4-11/h4H,1,3,5H2,2H3,(H,9,12)(H,10,13).

What are the key properties of 2-methyl-N-[2-oxo-2-(2-oxoethylamino)ethyl]prop-2-enamide?

2-methyl-N-[2-oxo-2-(2-oxoethylamino)ethyl]prop-2-enamide has a molecular weight of 184.19 g/mol, XLogP of -1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[2-oxo-2-(2-oxoethylamino)ethyl]prop-2-enamide is sourced from PubChem (CID 91498866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 91498866 — identifiers, structure, computed properties (public domain)

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