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

C16H23N3O4 — CID 2211335

IUPAC1-(2,4-dimethoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
SMILESCOc1ccc(NC(=O)NCCCN2CCCC2=O)c(OC)c1
InChIInChI=1S/C16H23N3O4/c1-22-12-6-7-13(14(11-12)23-2)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)
InChIKeyAGPDIUCMZIQXMG-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.84
Rot. Bonds7

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

1-(2,4-dimethoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea (PubChem CID 2211335) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
PubChem CID2211335
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name1-(2,4-dimethoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
SMILESCOc1ccc(NC(=O)NCCCN2CCCC2=O)c(OC)c1
InChIInChI=1S/C16H23N3O4/c1-22-12-6-7-13(14(11-12)23-2)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)
InChIKeyAGPDIUCMZIQXMG-UHFFFAOYSA-N
XLogP1.84
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-dimethoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea (CID 2211335) is 1-(2,4-dimethoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea is COc1ccc(NC(=O)NCCCN2CCCC2=O)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
The InChIKey is AGPDIUCMZIQXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-22-12-6-7-13(14(11-12)23-2)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-dimethoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
1-(2,4-dimethoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea has a molecular weight of 321.38 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea is sourced from PubChem (CID 2211335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).