1-[2-[bis[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]amino]ethyl]-3-methylpyrrolidine-2,5-dione

C21H30N4O6 — CID 135219566

IUPAC1-[2-[bis[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]amino]ethyl]-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(CCN(CCN2C(=O)CC(C)C2=O)CCN2C(=O)CC(C)C2=O)C1=O
InChIInChI=1S/C21H30N4O6/c1-13-10-16(26)23(19(13)29)7-4-22(5-8-24-17(27)11-14(2)20(24)30)6-9-25-18(28)12-15(3)21(25)31/h13-15H,4-12H2,1-3H3
InChIKeyZJZJRSHGQWBVDK-UHFFFAOYSA-N
MW434.49 g/mol
LogP-0.53
Rot. Bonds9

About 1-[2-[bis[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]amino]ethyl]-3-methylpyrrolidine-2,5-dione

1-[2-[bis[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]amino]ethyl]-3-methylpyrrolidine-2,5-dione (PubChem CID 135219566) has the molecular formula C21H30N4O6 and a molecular weight of 434.49 g/mol. Its IUPAC name is 1-[2-[bis[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]amino]ethyl]-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[bis[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]amino]ethyl]-3-methylpyrrolidine-2,5-dione
PubChem CID135219566
Molecular FormulaC21H30N4O6
Molecular Weight434.49 g/mol
Exact Mass434.22
IUPAC Name1-[2-[bis[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]amino]ethyl]-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(CCN(CCN2C(=O)CC(C)C2=O)CCN2C(=O)CC(C)C2=O)C1=O
InChIInChI=1S/C21H30N4O6/c1-13-10-16(26)23(19(13)29)7-4-22(5-8-24-17(27)11-14(2)20(24)30)6-9-25-18(28)12-15(3)21(25)31/h13-15H,4-12H2,1-3H3
InChIKeyZJZJRSHGQWBVDK-UHFFFAOYSA-N
XLogP-0.53
TPSA115.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]amino]ethyl]-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[bis[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]amino]ethyl]-3-methylpyrrolidine-2,5-dione (CID 135219566) is 1-[2-[bis[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]amino]ethyl]-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[bis[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]amino]ethyl]-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[bis[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]amino]ethyl]-3-methylpyrrolidine-2,5-dione is CC1CC(=O)N(CCN(CCN2C(=O)CC(C)C2=O)CCN2C(=O)CC(C)C2=O)C1=O.
What is the InChIKey of 1-[2-[bis[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]amino]ethyl]-3-methylpyrrolidine-2,5-dione?
The InChIKey is ZJZJRSHGQWBVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O6/c1-13-10-16(26)23(19(13)29)7-4-22(5-8-24-17(27)11-14(2)20(24)30)6-9-25-18(28)12-15(3)21(25)31/h13-15H,4-12H2,1-3H3.
What are the key properties of 1-[2-[bis[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]amino]ethyl]-3-methylpyrrolidine-2,5-dione?
1-[2-[bis[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]amino]ethyl]-3-methylpyrrolidine-2,5-dione has a molecular weight of 434.49 g/mol, XLogP of -0.53, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethyl]amino]ethyl]-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 135219566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).