Meprylcaine

C₁₄H₂₁NO₂ — CID 4065

About Meprylcaine

Meprylcaine (PubChem CID 4065) has the molecular formula C₁₄H₂₁NO₂ and a molecular weight of 235.33 g/mol. Its IUPAC name is [2-methyl-2-(propylamino)propyl] benzoate.

Molecular Properties

• Compound Name: Meprylcaine
• PubChem CID: 4065
• Molecular Formula: C₁₄H₂₁NO₂
• Molecular Weight: 235.33 g/mol
• Exact Mass: 235.16
• IUPAC Name: [2-methyl-2-(propylamino)propyl] benzoate
• SMILES: CCCNC(C)(C)COC(=O)c1ccccc1
• InChI: InChI=1S/C14H21NO2/c1-4-10-15-14(2,3)11-17-13(16)12-8-6-5-7-9-12/h5-9,15H,4,10-11H2,1-3H3
• InChIKey: VXJABHHJLXLNMP-UHFFFAOYSA-N
• XLogP: 2.62
• TPSA: 38.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	235.33
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Meprylcaine?

The IUPAC name of Meprylcaine (CID 4065) is [2-methyl-2-(propylamino)propyl] benzoate.

What is the SMILES notation for Meprylcaine?

The canonical SMILES for Meprylcaine is CCCNC(C)(C)COC(=O)c1ccccc1.

What is the InChIKey of Meprylcaine?

The InChIKey is VXJABHHJLXLNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-10-15-14(2,3)11-17-13(16)12-8-6-5-7-9-12/h5-9,15H,4,10-11H2,1-3H3.

What are the key properties of Meprylcaine?

Meprylcaine has a molecular weight of 235.33 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Meprylcaine is sourced from PubChem (CID 4065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 4065 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3770 — approved-drug record (CC BY-SA 4.0)

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