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

C19H22N4O2 — CID 108875643

IUPAC1-(4-aminophenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
SMILESCC(c1ccccc1)N1CC(NC(=O)Nc2ccc(N)cc2)CC1=O
InChIInChI=1S/C19H22N4O2/c1-13(14-5-3-2-4-6-14)23-12-17(11-18(23)24)22-19(25)21-16-9-7-15(20)8-10-16/h2-10,13,17H,11-12,20H2,1H3,(H2,21,22,25)
InChIKeyCOIGTOVYEZUHMI-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.75
Rot. Bonds4

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

1-(4-aminophenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea (PubChem CID 108875643) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(4-aminophenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
PubChem CID108875643
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name1-(4-aminophenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
SMILESCC(c1ccccc1)N1CC(NC(=O)Nc2ccc(N)cc2)CC1=O
InChIInChI=1S/C19H22N4O2/c1-13(14-5-3-2-4-6-14)23-12-17(11-18(23)24)22-19(25)21-16-9-7-15(20)8-10-16/h2-10,13,17H,11-12,20H2,1H3,(H2,21,22,25)
InChIKeyCOIGTOVYEZUHMI-UHFFFAOYSA-N
XLogP2.75
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-acetylphenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
CID 108875746
1-(3,5-dimethylphenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
CID 108875895
1-(4-amino-2-chlorophenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
CID 108875754
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-methyl-1,3-thiazol-2-yl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
CID 108875775
1-(5-methyl-1,2-oxazol-3-yl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
CID 108875814
N-[2-[[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]carbamoylamino]ethyl]acetamide
CID 108875898
methyl 2-[[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]carbamoylamino]acetate
CID 108875961
ethyl 3-[[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]carbamoylamino]propanoate
CID 108875959
(3R)-N-(4-acetamidophenyl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9004802

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea?
The IUPAC name of 1-(4-aminophenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea (CID 108875643) is 1-(4-aminophenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(4-aminophenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea?
The canonical SMILES for 1-(4-aminophenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea is CC(c1ccccc1)N1CC(NC(=O)Nc2ccc(N)cc2)CC1=O.
What is the InChIKey of 1-(4-aminophenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea?
The InChIKey is COIGTOVYEZUHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13(14-5-3-2-4-6-14)23-12-17(11-18(23)24)22-19(25)21-16-9-7-15(20)8-10-16/h2-10,13,17H,11-12,20H2,1H3,(H2,21,22,25).
What are the key properties of 1-(4-aminophenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea?
1-(4-aminophenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea has a molecular weight of 338.41 g/mol, XLogP of 2.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 108875643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).