Dimenoxadol

C₂₀H₂₅NO₃ — CID 17036

About Dimenoxadol

Dimenoxadol (PubChem CID 17036) has the molecular formula C₂₀H₂₅NO₃ and a molecular weight of 327.42 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-ethoxy-2,2-diphenylacetate.

Molecular Properties

• Compound Name: Dimenoxadol
• PubChem CID: 17036
• Molecular Formula: C₂₀H₂₅NO₃
• Molecular Weight: 327.42 g/mol
• Exact Mass: 327.18
• IUPAC Name: 2-(dimethylamino)ethyl 2-ethoxy-2,2-diphenylacetate
• SMILES: CCOC(C(=O)OCCN(C)C)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C20H25NO3/c1-4-24-20(17-11-7-5-8-12-17,18-13-9-6-10-14-18)19(22)23-16-15-21(2)3/h5-14H,4,15-16H2,1-3H3
• InChIKey: RHUWRJWFHUKVED-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 38.77 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	327.42
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Dimenoxadol?

The IUPAC name of Dimenoxadol (CID 17036) is 2-(dimethylamino)ethyl 2-ethoxy-2,2-diphenylacetate.

What is the SMILES notation for Dimenoxadol?

The canonical SMILES for Dimenoxadol is CCOC(C(=O)OCCN(C)C)(c1ccccc1)c1ccccc1.

What is the InChIKey of Dimenoxadol?

The InChIKey is RHUWRJWFHUKVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-4-24-20(17-11-7-5-8-12-17,18-13-9-6-10-14-18)19(22)23-16-15-21(2)3/h5-14H,4,15-16H2,1-3H3.

What are the key properties of Dimenoxadol?

Dimenoxadol has a molecular weight of 327.42 g/mol, XLogP of 3.07, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Dimenoxadol is sourced from PubChem (CID 17036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 17036 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3149 — approved-drug record (CC BY-SA 4.0)

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