1-(4-ethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea

C16H23N3O2 — CID 3469354

IUPAC1-(4-ethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
SMILESCCc1ccc(NC(=O)NCCCN2CCCC2=O)cc1
InChIInChI=1S/C16H23N3O2/c1-2-13-6-8-14(9-7-13)18-16(21)17-10-4-12-19-11-3-5-15(19)20/h6-9H,2-5,10-12H2,1H3,(H2,17,18,21)
InChIKeyZCQGYQIJHYXHMI-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.38
Rot. Bonds6

About 1-(4-ethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea

1-(4-ethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea (PubChem CID 3469354) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
PubChem CID3469354
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(4-ethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
SMILESCCc1ccc(NC(=O)NCCCN2CCCC2=O)cc1
InChIInChI=1S/C16H23N3O2/c1-2-13-6-8-14(9-7-13)18-16(21)17-10-4-12-19-11-3-5-15(19)20/h6-9H,2-5,10-12H2,1H3,(H2,17,18,21)
InChIKeyZCQGYQIJHYXHMI-UHFFFAOYSA-N
XLogP2.38
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-ethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea 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 1-(4-ethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
The IUPAC name of 1-(4-ethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea (CID 3469354) is 1-(4-ethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea.
What is the SMILES notation for 1-(4-ethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
The canonical SMILES for 1-(4-ethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea is CCc1ccc(NC(=O)NCCCN2CCCC2=O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
The InChIKey is ZCQGYQIJHYXHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-2-13-6-8-14(9-7-13)18-16(21)17-10-4-12-19-11-3-5-15(19)20/h6-9H,2-5,10-12H2,1H3,(H2,17,18,21).
What are the key properties of 1-(4-ethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
1-(4-ethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea has a molecular weight of 289.38 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea is sourced from PubChem (CID 3469354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).