2-methyl-N-propan-2-ylprop-2-enamide;N-propan-2-ylprop-2-enamide

C₁₃H₂₄N₂O₂ — CID 87926298

About 2-methyl-N-propan-2-ylprop-2-enamide;N-propan-2-ylprop-2-enamide

2-methyl-N-propan-2-ylprop-2-enamide;N-propan-2-ylprop-2-enamide (PubChem CID 87926298) has the molecular formula C₁₃H₂₄N₂O₂ and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-methyl-N-propan-2-ylprop-2-enamide;N-propan-2-ylprop-2-enamide.

Molecular Properties

• Compound Name: 2-methyl-N-propan-2-ylprop-2-enamide;N-propan-2-ylprop-2-enamide
• PubChem CID: 87926298
• Molecular Formula: C₁₃H₂₄N₂O₂
• Molecular Weight: 240.35 g/mol
• Exact Mass: 240.18
• IUPAC Name: 2-methyl-N-propan-2-ylprop-2-enamide;N-propan-2-ylprop-2-enamide
• SMILES: C=C(C)C(=O)NC(C)C.C=CC(=O)NC(C)C
• InChI: InChI=1S/C7H13NO.C6H11NO/c1-5(2)7(9)8-6(3)4;1-4-6(8)7-5(2)3/h6H,1H2,2-4H3,(H,8,9);4-5H,1H2,2-3H3,(H,7,8)
• InChIKey: QTHDIPDKFZUMJO-UHFFFAOYSA-N
• XLogP: 1.78
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	240.35
LogP ≤ 5	1.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propan-2-ylprop-2-enamide;N-propan-2-ylprop-2-enamide?

The IUPAC name of 2-methyl-N-propan-2-ylprop-2-enamide;N-propan-2-ylprop-2-enamide (CID 87926298) is 2-methyl-N-propan-2-ylprop-2-enamide;N-propan-2-ylprop-2-enamide.

What is the SMILES notation for 2-methyl-N-propan-2-ylprop-2-enamide;N-propan-2-ylprop-2-enamide?

The canonical SMILES for 2-methyl-N-propan-2-ylprop-2-enamide;N-propan-2-ylprop-2-enamide is C=C(C)C(=O)NC(C)C.C=CC(=O)NC(C)C.

What is the InChIKey of 2-methyl-N-propan-2-ylprop-2-enamide;N-propan-2-ylprop-2-enamide?

The InChIKey is QTHDIPDKFZUMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C6H11NO/c1-5(2)7(9)8-6(3)4;1-4-6(8)7-5(2)3/h6H,1H2,2-4H3,(H,8,9);4-5H,1H2,2-3H3,(H,7,8).

What are the key properties of 2-methyl-N-propan-2-ylprop-2-enamide;N-propan-2-ylprop-2-enamide?

2-methyl-N-propan-2-ylprop-2-enamide;N-propan-2-ylprop-2-enamide has a molecular weight of 240.35 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-propan-2-ylprop-2-enamide;N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 87926298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 87926298 — identifiers, structure, computed properties (public domain)

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