3-[2-[4-(2,2-dimethylpropyl)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-2-methylpropyl]-4-methyl-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidine-2,5-dione

C31H53N3O4 — CID 18715873

IUPAC3-[2-[4-(2,2-dimethylpropyl)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-2-methylpropyl]-4-methyl-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidine-2,5-dione
SMILESCCN1C(=O)C(CC(C)(C)C)C(C(C)(C)CC2C(=O)N(CC3CC(C)(C)N(C)C(C)(C)C3)C(=O)C2C)C1=O
InChIInChI=1S/C31H53N3O4/c1-13-33-26(37)22(16-28(3,4)5)23(27(33)38)29(6,7)17-21-19(2)24(35)34(25(21)36)18-20-14-30(8,9)32(12)31(10,11)15-20/h19-23H,13-18H2,1-12H3
InChIKeyUKDDBWBYQBUHEJ-UHFFFAOYSA-N
MW531.78 g/mol
LogP4.98
Rot. Bonds7

About 3-[2-[4-(2,2-dimethylpropyl)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-2-methylpropyl]-4-methyl-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidine-2,5-dione

3-[2-[4-(2,2-dimethylpropyl)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-2-methylpropyl]-4-methyl-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidine-2,5-dione (PubChem CID 18715873) has the molecular formula C31H53N3O4 and a molecular weight of 531.78 g/mol. Its IUPAC name is 3-[2-[4-(2,2-dimethylpropyl)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-2-methylpropyl]-4-methyl-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[2-[4-(2,2-dimethylpropyl)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-2-methylpropyl]-4-methyl-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidine-2,5-dione
PubChem CID18715873
Molecular FormulaC31H53N3O4
Molecular Weight531.78 g/mol
Exact Mass531.40
IUPAC Name3-[2-[4-(2,2-dimethylpropyl)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-2-methylpropyl]-4-methyl-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidine-2,5-dione
SMILESCCN1C(=O)C(CC(C)(C)C)C(C(C)(C)CC2C(=O)N(CC3CC(C)(C)N(C)C(C)(C)C3)C(=O)C2C)C1=O
InChIInChI=1S/C31H53N3O4/c1-13-33-26(37)22(16-28(3,4)5)23(27(33)38)29(6,7)17-21-19(2)24(35)34(25(21)36)18-20-14-30(8,9)32(12)31(10,11)15-20/h19-23H,13-18H2,1-12H3
InChIKeyUKDDBWBYQBUHEJ-UHFFFAOYSA-N
XLogP4.98
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.78
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2,2-dimethylpropyl)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-2-methylpropyl]-4-methyl-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-[2-[4-(2,2-dimethylpropyl)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-2-methylpropyl]-4-methyl-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidine-2,5-dione (CID 18715873) is 3-[2-[4-(2,2-dimethylpropyl)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-2-methylpropyl]-4-methyl-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[2-[4-(2,2-dimethylpropyl)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-2-methylpropyl]-4-methyl-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[2-[4-(2,2-dimethylpropyl)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-2-methylpropyl]-4-methyl-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidine-2,5-dione is CCN1C(=O)C(CC(C)(C)C)C(C(C)(C)CC2C(=O)N(CC3CC(C)(C)N(C)C(C)(C)C3)C(=O)C2C)C1=O.
What is the InChIKey of 3-[2-[4-(2,2-dimethylpropyl)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-2-methylpropyl]-4-methyl-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidine-2,5-dione?
The InChIKey is UKDDBWBYQBUHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H53N3O4/c1-13-33-26(37)22(16-28(3,4)5)23(27(33)38)29(6,7)17-21-19(2)24(35)34(25(21)36)18-20-14-30(8,9)32(12)31(10,11)15-20/h19-23H,13-18H2,1-12H3.
What are the key properties of 3-[2-[4-(2,2-dimethylpropyl)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-2-methylpropyl]-4-methyl-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidine-2,5-dione?
3-[2-[4-(2,2-dimethylpropyl)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-2-methylpropyl]-4-methyl-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidine-2,5-dione has a molecular weight of 531.78 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2,2-dimethylpropyl)-1-ethyl-2,5-dioxopyrrolidin-3-yl]-2-methylpropyl]-4-methyl-1-[(1,2,2,6,6-pentamethylpiperidin-4-yl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 18715873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).