[2-oxo-2-(3-phenylpropylamino)ethyl] 4-ethoxybenzoate

C20H23NO4 — CID 2353649

IUPAC[2-oxo-2-(3-phenylpropylamino)ethyl] 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)NCCCc2ccccc2)cc1
InChIInChI=1S/C20H23NO4/c1-2-24-18-12-10-17(11-13-18)20(23)25-15-19(22)21-14-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-13H,2,6,9,14-15H2,1H3,(H,21,22)
InChIKeyAVHWAFMMNZLLOZ-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.99
Rot. Bonds9

About [2-oxo-2-(3-phenylpropylamino)ethyl] 4-ethoxybenzoate

[2-oxo-2-(3-phenylpropylamino)ethyl] 4-ethoxybenzoate (PubChem CID 2353649) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is [2-oxo-2-(3-phenylpropylamino)ethyl] 4-ethoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(3-phenylpropylamino)ethyl] 4-ethoxybenzoate
PubChem CID2353649
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name[2-oxo-2-(3-phenylpropylamino)ethyl] 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)NCCCc2ccccc2)cc1
InChIInChI=1S/C20H23NO4/c1-2-24-18-12-10-17(11-13-18)20(23)25-15-19(22)21-14-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-13H,2,6,9,14-15H2,1H3,(H,21,22)
InChIKeyAVHWAFMMNZLLOZ-UHFFFAOYSA-N
XLogP2.99
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-oxo-2-(3-phenylpropylamino)ethyl] 4-ethoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-phenylpropylamino)ethyl] 4-ethoxybenzoate?
The IUPAC name of [2-oxo-2-(3-phenylpropylamino)ethyl] 4-ethoxybenzoate (CID 2353649) is [2-oxo-2-(3-phenylpropylamino)ethyl] 4-ethoxybenzoate.
What is the SMILES notation for [2-oxo-2-(3-phenylpropylamino)ethyl] 4-ethoxybenzoate?
The canonical SMILES for [2-oxo-2-(3-phenylpropylamino)ethyl] 4-ethoxybenzoate is CCOc1ccc(C(=O)OCC(=O)NCCCc2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(3-phenylpropylamino)ethyl] 4-ethoxybenzoate?
The InChIKey is AVHWAFMMNZLLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-2-24-18-12-10-17(11-13-18)20(23)25-15-19(22)21-14-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-13H,2,6,9,14-15H2,1H3,(H,21,22).
What are the key properties of [2-oxo-2-(3-phenylpropylamino)ethyl] 4-ethoxybenzoate?
[2-oxo-2-(3-phenylpropylamino)ethyl] 4-ethoxybenzoate has a molecular weight of 341.41 g/mol, XLogP of 2.99, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-phenylpropylamino)ethyl] 4-ethoxybenzoate is sourced from PubChem (CID 2353649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).