[4-[[2-(diethylamino)acetyl]amino]phenyl] 2-acetyloxybenzoate

C₂₁H₂₄N₂O₅ — CID 54503874

About [4-[[2-(diethylamino)acetyl]amino]phenyl] 2-acetyloxybenzoate

[4-[[2-(diethylamino)acetyl]amino]phenyl] 2-acetyloxybenzoate (PubChem CID 54503874) has the molecular formula C₂₁H₂₄N₂O₅ and a molecular weight of 384.43 g/mol. Its IUPAC name is [4-[[2-(diethylamino)acetyl]amino]phenyl] 2-acetyloxybenzoate.

Molecular Properties

• Compound Name: [4-[[2-(diethylamino)acetyl]amino]phenyl] 2-acetyloxybenzoate
• PubChem CID: 54503874
• Molecular Formula: C₂₁H₂₄N₂O₅
• Molecular Weight: 384.43 g/mol
• Exact Mass: 384.17
• IUPAC Name: [4-[[2-(diethylamino)acetyl]amino]phenyl] 2-acetyloxybenzoate
• SMILES: CCN(CC)CC(=O)Nc1ccc(OC(=O)c2ccccc2OC(C)=O)cc1
• InChI: InChI=1S/C21H24N2O5/c1-4-23(5-2)14-20(25)22-16-10-12-17(13-11-16)28-21(26)18-8-6-7-9-19(18)27-15(3)24/h6-13H,4-5,14H2,1-3H3,(H,22,25)
• InChIKey: YEIPRVUSJUCZNP-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 84.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.43
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(diethylamino)acetyl]amino]phenyl] 2-acetyloxybenzoate?

The IUPAC name of [4-[[2-(diethylamino)acetyl]amino]phenyl] 2-acetyloxybenzoate (CID 54503874) is [4-[[2-(diethylamino)acetyl]amino]phenyl] 2-acetyloxybenzoate.

What is the SMILES notation for [4-[[2-(diethylamino)acetyl]amino]phenyl] 2-acetyloxybenzoate?

The canonical SMILES for [4-[[2-(diethylamino)acetyl]amino]phenyl] 2-acetyloxybenzoate is CCN(CC)CC(=O)Nc1ccc(OC(=O)c2ccccc2OC(C)=O)cc1.

What is the InChIKey of [4-[[2-(diethylamino)acetyl]amino]phenyl] 2-acetyloxybenzoate?

The InChIKey is YEIPRVUSJUCZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-4-23(5-2)14-20(25)22-16-10-12-17(13-11-16)28-21(26)18-8-6-7-9-19(18)27-15(3)24/h6-13H,4-5,14H2,1-3H3,(H,22,25).

What are the key properties of [4-[[2-(diethylamino)acetyl]amino]phenyl] 2-acetyloxybenzoate?

[4-[[2-(diethylamino)acetyl]amino]phenyl] 2-acetyloxybenzoate has a molecular weight of 384.43 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[2-(diethylamino)acetyl]amino]phenyl] 2-acetyloxybenzoate is sourced from PubChem (CID 54503874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 54503874 — identifiers, structure, computed properties (public domain)

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