3-(2-morpholin-4-ylethylamino)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione

C21H28N4O4 — CID 661474

IUPAC3-(2-morpholin-4-ylethylamino)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione
SMILESO=C1CC(NCCN2CCOCC2)C(=O)N1Cc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H28N4O4/c26-19-2-1-8-24(19)17-5-3-16(4-6-17)15-25-20(27)14-18(21(25)28)22-7-9-23-10-12-29-13-11-23/h3-6,18,22H,1-2,7-15H2
InChIKeyIGNFQXCZEPZHMJ-UHFFFAOYSA-N
MW400.48 g/mol
LogP0.36
Rot. Bonds7

About 3-(2-morpholin-4-ylethylamino)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione

3-(2-morpholin-4-ylethylamino)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione (PubChem CID 661474) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is 3-(2-morpholin-4-ylethylamino)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-morpholin-4-ylethylamino)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione
PubChem CID661474
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC Name3-(2-morpholin-4-ylethylamino)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione
SMILESO=C1CC(NCCN2CCOCC2)C(=O)N1Cc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H28N4O4/c26-19-2-1-8-24(19)17-5-3-16(4-6-17)15-25-20(27)14-18(21(25)28)22-7-9-23-10-12-29-13-11-23/h3-6,18,22H,1-2,7-15H2
InChIKeyIGNFQXCZEPZHMJ-UHFFFAOYSA-N
XLogP0.36
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(2-morpholin-4-ylethylamino)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chlorophenyl)-3-(2-morpholin-4-ylethylamino)pyrrolidine-2,5-dione
CID 2833582
(3R)-1-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethylamino)pyrrolidine-2,5-dione
CID 843089
3-(2-morpholin-4-ylethylamino)-1-pentan-3-ylpyrrolidine-2,5-dione
CID 43637986
1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 102501069
(3R)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione
CID 6978644
N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24595498
(3R)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione
CID 51633742
1-[(3S)-2,5-dioxo-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidin-3-yl]piperidine-4-carboxamide
CID 1282161
(3S)-3-(4-benzhydrylpiperazin-1-yl)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione
CID 51620732
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
(3S)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 51617354
1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111777429

Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-ylethylamino)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-(2-morpholin-4-ylethylamino)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione (CID 661474) is 3-(2-morpholin-4-ylethylamino)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-morpholin-4-ylethylamino)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-morpholin-4-ylethylamino)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione is O=C1CC(NCCN2CCOCC2)C(=O)N1Cc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 3-(2-morpholin-4-ylethylamino)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione?
The InChIKey is IGNFQXCZEPZHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4/c26-19-2-1-8-24(19)17-5-3-16(4-6-17)15-25-20(27)14-18(21(25)28)22-7-9-23-10-12-29-13-11-23/h3-6,18,22H,1-2,7-15H2.
What are the key properties of 3-(2-morpholin-4-ylethylamino)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione?
3-(2-morpholin-4-ylethylamino)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione has a molecular weight of 400.48 g/mol, XLogP of 0.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-ylethylamino)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 661474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).