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

C22H25NO3 — CID 3077947

IUPAC5-pentoxy-1-(4-phenylbenzoyl)pyrrolidin-2-one
SMILESCCCCCOC1CCC(=O)N1C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H25NO3/c1-2-3-7-16-26-21-15-14-20(24)23(21)22(25)19-12-10-18(11-13-19)17-8-5-4-6-9-17/h4-6,8-13,21H,2-3,7,14-16H2,1H3
InChIKeyARUVDDXNSZHSQK-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.65
Rot. Bonds7

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

5-pentoxy-1-(4-phenylbenzoyl)pyrrolidin-2-one (PubChem CID 3077947) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 5-pentoxy-1-(4-phenylbenzoyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-pentoxy-1-(4-phenylbenzoyl)pyrrolidin-2-one
PubChem CID3077947
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name5-pentoxy-1-(4-phenylbenzoyl)pyrrolidin-2-one
SMILESCCCCCOC1CCC(=O)N1C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H25NO3/c1-2-3-7-16-26-21-15-14-20(24)23(21)22(25)19-12-10-18(11-13-19)17-8-5-4-6-9-17/h4-6,8-13,21H,2-3,7,14-16H2,1H3
InChIKeyARUVDDXNSZHSQK-UHFFFAOYSA-N
XLogP4.65
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-pentoxy-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-pentoxy-1-(4-phenylbenzoyl)pyrrolidin-2-one?
The IUPAC name of 5-pentoxy-1-(4-phenylbenzoyl)pyrrolidin-2-one (CID 3077947) is 5-pentoxy-1-(4-phenylbenzoyl)pyrrolidin-2-one.
What is the SMILES notation for 5-pentoxy-1-(4-phenylbenzoyl)pyrrolidin-2-one?
The canonical SMILES for 5-pentoxy-1-(4-phenylbenzoyl)pyrrolidin-2-one is CCCCCOC1CCC(=O)N1C(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 5-pentoxy-1-(4-phenylbenzoyl)pyrrolidin-2-one?
The InChIKey is ARUVDDXNSZHSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c1-2-3-7-16-26-21-15-14-20(24)23(21)22(25)19-12-10-18(11-13-19)17-8-5-4-6-9-17/h4-6,8-13,21H,2-3,7,14-16H2,1H3.
What are the key properties of 5-pentoxy-1-(4-phenylbenzoyl)pyrrolidin-2-one?
5-pentoxy-1-(4-phenylbenzoyl)pyrrolidin-2-one has a molecular weight of 351.45 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentoxy-1-(4-phenylbenzoyl)pyrrolidin-2-one is sourced from PubChem (CID 3077947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).