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

C16H23N3O2 — CID 24819495

IUPAC1-(2,4-dimethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
SMILESCc1ccc(NC(=O)NCCCN2CCCC2=O)c(C)c1
InChIInChI=1S/C16H23N3O2/c1-12-6-7-14(13(2)11-12)18-16(21)17-8-4-10-19-9-3-5-15(19)20/h6-7,11H,3-5,8-10H2,1-2H3,(H2,17,18,21)
InChIKeyNMPFWTRXDGRSAB-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.44
Rot. Bonds5

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

1-(2,4-dimethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea (PubChem CID 24819495) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
PubChem CID24819495
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(2,4-dimethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
SMILESCc1ccc(NC(=O)NCCCN2CCCC2=O)c(C)c1
InChIInChI=1S/C16H23N3O2/c1-12-6-7-14(13(2)11-12)18-16(21)17-8-4-10-19-9-3-5-15(19)20/h6-7,11H,3-5,8-10H2,1-2H3,(H2,17,18,21)
InChIKeyNMPFWTRXDGRSAB-UHFFFAOYSA-N
XLogP2.44
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea (CID 24819495) is 1-(2,4-dimethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea is Cc1ccc(NC(=O)NCCCN2CCCC2=O)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
The InChIKey is NMPFWTRXDGRSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12-6-7-14(13(2)11-12)18-16(21)17-8-4-10-19-9-3-5-15(19)20/h6-7,11H,3-5,8-10H2,1-2H3,(H2,17,18,21).
What are the key properties of 1-(2,4-dimethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
1-(2,4-dimethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea has a molecular weight of 289.38 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea is sourced from PubChem (CID 24819495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).