Mebutamate

C₁₀H₂₀N₂O₄ — CID 6151

About Mebutamate

Mebutamate (PubChem CID 6151) has the molecular formula C₁₀H₂₀N₂O₄ and a molecular weight of 232.28 g/mol. Its IUPAC name is [2-(carbamoyloxymethyl)-2,3-dimethylpentyl] carbamate.

Molecular Properties

• Compound Name: Mebutamate
• PubChem CID: 6151
• Molecular Formula: C₁₀H₂₀N₂O₄
• Molecular Weight: 232.28 g/mol
• Exact Mass: 232.14
• IUPAC Name: [2-(carbamoyloxymethyl)-2,3-dimethylpentyl] carbamate
• SMILES: CCC(C)C(C)(COC(N)=O)COC(N)=O
• InChI: InChI=1S/C10H20N2O4/c1-4-7(2)10(3,5-15-8(11)13)6-16-9(12)14/h7H,4-6H2,1-3H3,(H2,11,13)(H2,12,14)
• InChIKey: LEROTMJVBFSIMP-UHFFFAOYSA-N
• XLogP: 1.23
• TPSA: 104.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	232.28
LogP ≤ 5	1.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Mebutamate?

The IUPAC name of Mebutamate (CID 6151) is [2-(carbamoyloxymethyl)-2,3-dimethylpentyl] carbamate.

What is the SMILES notation for Mebutamate?

The canonical SMILES for Mebutamate is CCC(C)C(C)(COC(N)=O)COC(N)=O.

What is the InChIKey of Mebutamate?

The InChIKey is LEROTMJVBFSIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-4-7(2)10(3,5-15-8(11)13)6-16-9(12)14/h7H,4-6H2,1-3H3,(H2,11,13)(H2,12,14).

What are the key properties of Mebutamate?

Mebutamate has a molecular weight of 232.28 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Mebutamate is sourced from PubChem (CID 6151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6151 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1644 — approved-drug record (CC BY-SA 4.0)

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