Amolanone

C₂₀H₂₃NO₂ — CID 6453

About Amolanone

Amolanone (PubChem CID 6453) has the molecular formula C₂₀H₂₃NO₂ and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethyl]-3-phenyl-1-benzofuran-2-one.

Molecular Properties

• Compound Name: Amolanone
• PubChem CID: 6453
• Molecular Formula: C₂₀H₂₃NO₂
• Molecular Weight: 309.41 g/mol
• Exact Mass: 309.17
• IUPAC Name: 3-[2-(diethylamino)ethyl]-3-phenyl-1-benzofuran-2-one
• SMILES: CCN(CC)CCC1(c2ccccc2)C(=O)Oc2ccccc21
• InChI: InChI=1S/C20H23NO2/c1-3-21(4-2)15-14-20(16-10-6-5-7-11-16)17-12-8-9-13-18(17)23-19(20)22/h5-13H,3-4,14-15H2,1-2H3
• InChIKey: HPITVGRITATAFY-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 29.54 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	309.41
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Amolanone?

The IUPAC name of Amolanone (CID 6453) is 3-[2-(diethylamino)ethyl]-3-phenyl-1-benzofuran-2-one.

What is the SMILES notation for Amolanone?

The canonical SMILES for Amolanone is CCN(CC)CCC1(c2ccccc2)C(=O)Oc2ccccc21.

What is the InChIKey of Amolanone?

The InChIKey is HPITVGRITATAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-3-21(4-2)15-14-20(16-10-6-5-7-11-16)17-12-8-9-13-18(17)23-19(20)22/h5-13H,3-4,14-15H2,1-2H3.

What are the key properties of Amolanone?

Amolanone has a molecular weight of 309.41 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Amolanone is sourced from PubChem (CID 6453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6453 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 187 — approved-drug record (CC BY-SA 4.0)

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