5-ethoxy-1-(4-phenylbenzoyl)pyrrolidin-2-one

C19H19NO3 — CID 3077935

IUPAC5-ethoxy-1-(4-phenylbenzoyl)pyrrolidin-2-one
SMILESCCOC1CCC(=O)N1C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H19NO3/c1-2-23-18-13-12-17(21)20(18)19(22)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,18H,2,12-13H2,1H3
InChIKeyPWGYKXDHSUWQOP-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.48
Rot. Bonds4

About 5-ethoxy-1-(4-phenylbenzoyl)pyrrolidin-2-one

5-ethoxy-1-(4-phenylbenzoyl)pyrrolidin-2-one (PubChem CID 3077935) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-ethoxy-1-(4-phenylbenzoyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-ethoxy-1-(4-phenylbenzoyl)pyrrolidin-2-one
PubChem CID3077935
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name5-ethoxy-1-(4-phenylbenzoyl)pyrrolidin-2-one
SMILESCCOC1CCC(=O)N1C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H19NO3/c1-2-23-18-13-12-17(21)20(18)19(22)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,18H,2,12-13H2,1H3
InChIKeyPWGYKXDHSUWQOP-UHFFFAOYSA-N
XLogP3.48
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-ethoxy-1-(4-phenylbenzoyl)pyrrolidin-2-one 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 5-ethoxy-1-(4-phenylbenzoyl)pyrrolidin-2-one?
The IUPAC name of 5-ethoxy-1-(4-phenylbenzoyl)pyrrolidin-2-one (CID 3077935) is 5-ethoxy-1-(4-phenylbenzoyl)pyrrolidin-2-one.
What is the SMILES notation for 5-ethoxy-1-(4-phenylbenzoyl)pyrrolidin-2-one?
The canonical SMILES for 5-ethoxy-1-(4-phenylbenzoyl)pyrrolidin-2-one is CCOC1CCC(=O)N1C(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 5-ethoxy-1-(4-phenylbenzoyl)pyrrolidin-2-one?
The InChIKey is PWGYKXDHSUWQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-2-23-18-13-12-17(21)20(18)19(22)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,18H,2,12-13H2,1H3.
What are the key properties of 5-ethoxy-1-(4-phenylbenzoyl)pyrrolidin-2-one?
5-ethoxy-1-(4-phenylbenzoyl)pyrrolidin-2-one has a molecular weight of 309.37 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-(4-phenylbenzoyl)pyrrolidin-2-one is sourced from PubChem (CID 3077935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).