Sodium;N,3-dimethyl-2-(3-methylbutanoylamino)butanamide;ethene;propane

C₁₆H₃₃N₂NaO₂ — CID 171621434

About Sodium;N,3-dimethyl-2-(3-methylbutanoylamino)butanamide;ethene;propane

Sodium;N,3-dimethyl-2-(3-methylbutanoylamino)butanamide;ethene;propane (PubChem CID 171621434) has the molecular formula C₁₆H₃₃N₂NaO₂ and a molecular weight of 308.44 g/mol. Its IUPAC name is sodium;N,3-dimethyl-2-(3-methylbutanoylamino)butanamide;ethene;propane.

Molecular Properties

• Compound Name: Sodium;N,3-dimethyl-2-(3-methylbutanoylamino)butanamide;ethene;propane
• PubChem CID: 171621434
• Molecular Formula: C₁₆H₃₃N₂NaO₂
• Molecular Weight: 308.44 g/mol
• Exact Mass: 308.24
• IUPAC Name: sodium;N,3-dimethyl-2-(3-methylbutanoylamino)butanamide;ethene;propane
• SMILES: CCC.CNC(=O)C(NC(=O)CC(C)C)C(C)C.[H][C-]=C.[Na+]
• InChI: InChI=1S/C11H22N2O2.C3H8.C2H3.Na/c1-7(2)6-9(14)13-10(8(3)4)11(15)12-5;1-3-2;1-2;/h7-8,10H,6H2,1-5H3,(H,12,15)(H,13,14);3H2,1-2H3;1H,2H2;/q;;-1;+1
• InChIKey: AENFCJHZCYYSNZ-UHFFFAOYSA-N
• XLogP: -0.06
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	308.44
LogP ≤ 5	-0.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Sodium;N,3-dimethyl-2-(3-methylbutanoylamino)butanamide;ethene;propane?

The IUPAC name of Sodium;N,3-dimethyl-2-(3-methylbutanoylamino)butanamide;ethene;propane (CID 171621434) is sodium;N,3-dimethyl-2-(3-methylbutanoylamino)butanamide;ethene;propane.

What is the SMILES notation for Sodium;N,3-dimethyl-2-(3-methylbutanoylamino)butanamide;ethene;propane?

The canonical SMILES for Sodium;N,3-dimethyl-2-(3-methylbutanoylamino)butanamide;ethene;propane is CCC.CNC(=O)C(NC(=O)CC(C)C)C(C)C.[H][C-]=C.[Na+].

What is the InChIKey of Sodium;N,3-dimethyl-2-(3-methylbutanoylamino)butanamide;ethene;propane?

The InChIKey is AENFCJHZCYYSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2.C3H8.C2H3.Na/c1-7(2)6-9(14)13-10(8(3)4)11(15)12-5;1-3-2;1-2;/h7-8,10H,6H2,1-5H3,(H,12,15)(H,13,14);3H2,1-2H3;1H,2H2;/q;;-1;+1.

What are the key properties of Sodium;N,3-dimethyl-2-(3-methylbutanoylamino)butanamide;ethene;propane?

Sodium;N,3-dimethyl-2-(3-methylbutanoylamino)butanamide;ethene;propane has a molecular weight of 308.44 g/mol, XLogP of -0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Sodium;N,3-dimethyl-2-(3-methylbutanoylamino)butanamide;ethene;propane is sourced from PubChem (CID 171621434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 171621434 — identifiers, structure, computed properties (public domain)

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