3-(3-phenoxypropylamino)pyrrolidine-2,5-dione

C13H16N2O3 — CID 62380034

IUPAC3-(3-phenoxypropylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NCCCOc2ccccc2)C(=O)N1
InChIInChI=1S/C13H16N2O3/c16-12-9-11(13(17)15-12)14-7-4-8-18-10-5-2-1-3-6-10/h1-3,5-6,11,14H,4,7-9H2,(H,15,16,17)
InChIKeyKJSAOFWFMBNXSJ-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.46
Rot. Bonds6

About 3-(3-phenoxypropylamino)pyrrolidine-2,5-dione

3-(3-phenoxypropylamino)pyrrolidine-2,5-dione (PubChem CID 62380034) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-(3-phenoxypropylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(3-phenoxypropylamino)pyrrolidine-2,5-dione
PubChem CID62380034
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name3-(3-phenoxypropylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NCCCOc2ccccc2)C(=O)N1
InChIInChI=1S/C13H16N2O3/c16-12-9-11(13(17)15-12)14-7-4-8-18-10-5-2-1-3-6-10/h1-3,5-6,11,14H,4,7-9H2,(H,15,16,17)
InChIKeyKJSAOFWFMBNXSJ-UHFFFAOYSA-N
XLogP0.46
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-phenoxypropylamino)pyrrolidine-2,5-dione?
The IUPAC name of 3-(3-phenoxypropylamino)pyrrolidine-2,5-dione (CID 62380034) is 3-(3-phenoxypropylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(3-phenoxypropylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(3-phenoxypropylamino)pyrrolidine-2,5-dione is O=C1CC(NCCCOc2ccccc2)C(=O)N1.
What is the InChIKey of 3-(3-phenoxypropylamino)pyrrolidine-2,5-dione?
The InChIKey is KJSAOFWFMBNXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-12-9-11(13(17)15-12)14-7-4-8-18-10-5-2-1-3-6-10/h1-3,5-6,11,14H,4,7-9H2,(H,15,16,17).
What are the key properties of 3-(3-phenoxypropylamino)pyrrolidine-2,5-dione?
3-(3-phenoxypropylamino)pyrrolidine-2,5-dione has a molecular weight of 248.28 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenoxypropylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 62380034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).