1-methyl-3-[2-[methyl-(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]ethylamino]pyrrolidine-2,5-dione

C13H20N4O4 — CID 166289563

IUPAC1-methyl-3-[2-[methyl-(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]ethylamino]pyrrolidine-2,5-dione
SMILESCN1C(=O)CC(NCCN(C)C2CC(=O)N(C)C2=O)C1=O
InChIInChI=1S/C13H20N4O4/c1-15(9-7-11(19)17(3)13(9)21)5-4-14-8-6-10(18)16(2)12(8)20/h8-9,14H,4-7H2,1-3H3
InChIKeyPOKYWXYVQJDQEZ-UHFFFAOYSA-N
MW296.33 g/mol
LogP-1.98
Rot. Bonds5

About 1-methyl-3-[2-[methyl-(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]ethylamino]pyrrolidine-2,5-dione

1-methyl-3-[2-[methyl-(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]ethylamino]pyrrolidine-2,5-dione (PubChem CID 166289563) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-methyl-3-[2-[methyl-(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]ethylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-[2-[methyl-(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]ethylamino]pyrrolidine-2,5-dione
PubChem CID166289563
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name1-methyl-3-[2-[methyl-(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]ethylamino]pyrrolidine-2,5-dione
SMILESCN1C(=O)CC(NCCN(C)C2CC(=O)N(C)C2=O)C1=O
InChIInChI=1S/C13H20N4O4/c1-15(9-7-11(19)17(3)13(9)21)5-4-14-8-6-10(18)16(2)12(8)20/h8-9,14H,4-7H2,1-3H3
InChIKeyPOKYWXYVQJDQEZ-UHFFFAOYSA-N
XLogP-1.98
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 5-1.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-methyl-3-[2-[methyl-(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]ethylamino]pyrrolidine-2,5-dione with MolForge

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Related Compounds

3-(6-hydroxyhexylamino)-1-methylpyrrolidine-2,5-dione
CID 107703458
1-methyl-3-(3-methylsulfanylpropylamino)pyrrolidine-2,5-dione
CID 63967065
1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethylamino]pyrrolidine-2,5-dione
CID 112589216
3-[2-[cyclopropyl(methyl)amino]ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 62976653
1-methyl-3-(3-phenylbutylamino)pyrrolidine-2,5-dione
CID 55153501
1-methyl-3-(3-propoxypropylamino)pyrrolidine-2,5-dione
CID 82942268
3-(2-but-3-enoxyethylamino)-1-methylpyrrolidine-2,5-dione
CID 106397843
N'-hydroxy-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]butanimidamide
CID 77075586
3-[2-(cyclopenten-1-yl)ethylamino]-1-methylpyrrolidine-2,5-dione
CID 106173594
3-(2-imidazol-1-ylethylamino)-1-methylpyrrolidine-2,5-dione
CID 61326141
1-methyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione
CID 43635991
1-methyl-3-(2-methylidenebutylamino)pyrrolidine-2,5-dione
CID 66046673

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-[methyl-(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]ethylamino]pyrrolidine-2,5-dione?
The IUPAC name of 1-methyl-3-[2-[methyl-(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]ethylamino]pyrrolidine-2,5-dione (CID 166289563) is 1-methyl-3-[2-[methyl-(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]ethylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-methyl-3-[2-[methyl-(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]ethylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-methyl-3-[2-[methyl-(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]ethylamino]pyrrolidine-2,5-dione is CN1C(=O)CC(NCCN(C)C2CC(=O)N(C)C2=O)C1=O.
What is the InChIKey of 1-methyl-3-[2-[methyl-(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]ethylamino]pyrrolidine-2,5-dione?
The InChIKey is POKYWXYVQJDQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-15(9-7-11(19)17(3)13(9)21)5-4-14-8-6-10(18)16(2)12(8)20/h8-9,14H,4-7H2,1-3H3.
What are the key properties of 1-methyl-3-[2-[methyl-(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]ethylamino]pyrrolidine-2,5-dione?
1-methyl-3-[2-[methyl-(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]ethylamino]pyrrolidine-2,5-dione has a molecular weight of 296.33 g/mol, XLogP of -1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-[methyl-(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]ethylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 166289563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).