1-(4-acetylphenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea

C21H23N3O3 — CID 108875746

IUPAC1-(4-acetylphenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
SMILESCC(=O)c1ccc(NC(=O)NC2CC(=O)N(C(C)c3ccccc3)C2)cc1
InChIInChI=1S/C21H23N3O3/c1-14(16-6-4-3-5-7-16)24-13-19(12-20(24)26)23-21(27)22-18-10-8-17(9-11-18)15(2)25/h3-11,14,19H,12-13H2,1-2H3,(H2,22,23,27)
InChIKeyLLWQLEVTXOPLCU-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.37
Rot. Bonds5

About 1-(4-acetylphenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea

1-(4-acetylphenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea (PubChem CID 108875746) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
PubChem CID108875746
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name1-(4-acetylphenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
SMILESCC(=O)c1ccc(NC(=O)NC2CC(=O)N(C(C)c3ccccc3)C2)cc1
InChIInChI=1S/C21H23N3O3/c1-14(16-6-4-3-5-7-16)24-13-19(12-20(24)26)23-21(27)22-18-10-8-17(9-11-18)15(2)25/h3-11,14,19H,12-13H2,1-2H3,(H2,22,23,27)
InChIKeyLLWQLEVTXOPLCU-UHFFFAOYSA-N
XLogP3.37
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminophenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
CID 108875643
1-(3,5-dimethylphenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
CID 108875895
1-methyl-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
CID 108875834
1-(3,4-dimethoxyphenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
CID 108875635
1-(2,6-dichlorophenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
CID 108875924
1-(4-acetylphenyl)-3-(1-benzyl-5-oxopyrrolidin-3-yl)urea
CID 108876474
N-[2-[[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]carbamoylamino]ethyl]acetamide
CID 108875898
4-[[[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]carbamoylamino]methyl]benzoic acid
CID 108875798
1-(5-methyl-1,2-oxazol-3-yl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
CID 108875814
(3R)-N-(4-acetamidophenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9004802
1-(4-amino-2-chlorophenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
CID 108875754
1-(4-methyl-1,3-thiazol-2-yl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
CID 108875775

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea?
The IUPAC name of 1-(4-acetylphenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea (CID 108875746) is 1-(4-acetylphenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea is CC(=O)c1ccc(NC(=O)NC2CC(=O)N(C(C)c3ccccc3)C2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea?
The InChIKey is LLWQLEVTXOPLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14(16-6-4-3-5-7-16)24-13-19(12-20(24)26)23-21(27)22-18-10-8-17(9-11-18)15(2)25/h3-11,14,19H,12-13H2,1-2H3,(H2,22,23,27).
What are the key properties of 1-(4-acetylphenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea?
1-(4-acetylphenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea has a molecular weight of 365.43 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 108875746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).