3-[3-(2-methoxyethoxymethyl)anilino]-1-methylpyrrolidine-2,5-dione

C15H20N2O4 — CID 60934098

IUPAC3-[3-(2-methoxyethoxymethyl)anilino]-1-methylpyrrolidine-2,5-dione
SMILESCOCCOCc1cccc(NC2CC(=O)N(C)C2=O)c1
InChIInChI=1S/C15H20N2O4/c1-17-14(18)9-13(15(17)19)16-12-5-3-4-11(8-12)10-21-7-6-20-2/h3-5,8,13,16H,6-7,9-10H2,1-2H3
InChIKeyOAFCMOJBKPHXJF-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.02
Rot. Bonds7

About 3-[3-(2-methoxyethoxymethyl)anilino]-1-methylpyrrolidine-2,5-dione

3-[3-(2-methoxyethoxymethyl)anilino]-1-methylpyrrolidine-2,5-dione (PubChem CID 60934098) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-[3-(2-methoxyethoxymethyl)anilino]-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[3-(2-methoxyethoxymethyl)anilino]-1-methylpyrrolidine-2,5-dione
PubChem CID60934098
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name3-[3-(2-methoxyethoxymethyl)anilino]-1-methylpyrrolidine-2,5-dione
SMILESCOCCOCc1cccc(NC2CC(=O)N(C)C2=O)c1
InChIInChI=1S/C15H20N2O4/c1-17-14(18)9-13(15(17)19)16-12-5-3-4-11(8-12)10-21-7-6-20-2/h3-5,8,13,16H,6-7,9-10H2,1-2H3
InChIKeyOAFCMOJBKPHXJF-UHFFFAOYSA-N
XLogP1.02
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.02
H-Bond Donors ≤ 51
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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Related Compounds

3-[3-(2-methoxyethoxymethyl)anilino]pyrrolidine-2,5-dione
CID 60933972
N-cyclopropyl-3-(2-methoxyethoxymethyl)aniline
CID 103439171
N-[3-(2-methoxyethoxymethyl)phenyl]oxan-4-amine
CID 54863387
1-ethyl-3-[3-(2-methoxyethoxy)anilino]pyrrolidine-2,5-dione
CID 60933482
1,3-bis(2-methoxyethoxymethyl)benzene
CID 14086847
N-(2,4-dimethylcyclohexyl)-3-(2-methoxyethoxymethyl)aniline
CID 64761884
(3S,5R)-5-methyl-3-[3-(2-phenylethoxymethyl)anilino]oxolan-2-one
CID 96531230
3-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-1-methylpyrrolidine-2,5-dione
CID 54962543
N-[3-(2-methoxyethoxymethyl)phenyl]azepan-4-amine
CID 103981615
3-(4-fluoro-3-methoxyanilino)-1-methylpyrrolidine-2,5-dione
CID 114839205
N-(1-cyclohexylethyl)-3-(2-methoxyethoxymethyl)aniline
CID 60942752
2-[3-(2-methoxyethoxymethyl)anilino]butanoic acid
CID 115353092

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxyethoxymethyl)anilino]-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-[3-(2-methoxyethoxymethyl)anilino]-1-methylpyrrolidine-2,5-dione (CID 60934098) is 3-[3-(2-methoxyethoxymethyl)anilino]-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[3-(2-methoxyethoxymethyl)anilino]-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[3-(2-methoxyethoxymethyl)anilino]-1-methylpyrrolidine-2,5-dione is COCCOCc1cccc(NC2CC(=O)N(C)C2=O)c1.
What is the InChIKey of 3-[3-(2-methoxyethoxymethyl)anilino]-1-methylpyrrolidine-2,5-dione?
The InChIKey is OAFCMOJBKPHXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-17-14(18)9-13(15(17)19)16-12-5-3-4-11(8-12)10-21-7-6-20-2/h3-5,8,13,16H,6-7,9-10H2,1-2H3.
What are the key properties of 3-[3-(2-methoxyethoxymethyl)anilino]-1-methylpyrrolidine-2,5-dione?
3-[3-(2-methoxyethoxymethyl)anilino]-1-methylpyrrolidine-2,5-dione has a molecular weight of 292.34 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyethoxymethyl)anilino]-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 60934098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).