3-[3-(2-methoxyethoxymethyl)anilino]pyrrolidine-2,5-dione

C14H18N2O4 — CID 60933972

IUPAC3-[3-(2-methoxyethoxymethyl)anilino]pyrrolidine-2,5-dione
SMILESCOCCOCc1cccc(NC2CC(=O)NC2=O)c1
InChIInChI=1S/C14H18N2O4/c1-19-5-6-20-9-10-3-2-4-11(7-10)15-12-8-13(17)16-14(12)18/h2-4,7,12,15H,5-6,8-9H2,1H3,(H,16,17,18)
InChIKeyCNPUAABVMCOIIL-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.68
Rot. Bonds7

About 3-[3-(2-methoxyethoxymethyl)anilino]pyrrolidine-2,5-dione

3-[3-(2-methoxyethoxymethyl)anilino]pyrrolidine-2,5-dione (PubChem CID 60933972) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-[3-(2-methoxyethoxymethyl)anilino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[3-(2-methoxyethoxymethyl)anilino]pyrrolidine-2,5-dione
PubChem CID60933972
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name3-[3-(2-methoxyethoxymethyl)anilino]pyrrolidine-2,5-dione
SMILESCOCCOCc1cccc(NC2CC(=O)NC2=O)c1
InChIInChI=1S/C14H18N2O4/c1-19-5-6-20-9-10-3-2-4-11(7-10)15-12-8-13(17)16-14(12)18/h2-4,7,12,15H,5-6,8-9H2,1H3,(H,16,17,18)
InChIKeyCNPUAABVMCOIIL-UHFFFAOYSA-N
XLogP0.68
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2-methoxyethoxymethyl)anilino]pyrrolidine-2,5-dione?
The IUPAC name of 3-[3-(2-methoxyethoxymethyl)anilino]pyrrolidine-2,5-dione (CID 60933972) is 3-[3-(2-methoxyethoxymethyl)anilino]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[3-(2-methoxyethoxymethyl)anilino]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[3-(2-methoxyethoxymethyl)anilino]pyrrolidine-2,5-dione is COCCOCc1cccc(NC2CC(=O)NC2=O)c1.
What is the InChIKey of 3-[3-(2-methoxyethoxymethyl)anilino]pyrrolidine-2,5-dione?
The InChIKey is CNPUAABVMCOIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-19-5-6-20-9-10-3-2-4-11(7-10)15-12-8-13(17)16-14(12)18/h2-4,7,12,15H,5-6,8-9H2,1H3,(H,16,17,18).
What are the key properties of 3-[3-(2-methoxyethoxymethyl)anilino]pyrrolidine-2,5-dione?
3-[3-(2-methoxyethoxymethyl)anilino]pyrrolidine-2,5-dione has a molecular weight of 278.31 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyethoxymethyl)anilino]pyrrolidine-2,5-dione is sourced from PubChem (CID 60933972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).