(2,5-dioxopyrrolidin-1-yl) 6-[2-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]acetyl]oxyhexanoate

C23H30N2O8 — CID 58078485

IUPAC(2,5-dioxopyrrolidin-1-yl) 6-[2-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]acetyl]oxyhexanoate
SMILESO=C(CC1CCC(CN2C(=O)C=CC2=O)CC1)OCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C23H30N2O8/c26-18-9-10-19(27)24(18)15-17-7-5-16(6-8-17)14-23(31)32-13-3-1-2-4-22(30)33-25-20(28)11-12-21(25)29/h9-10,16-17H,1-8,11-15H2
InChIKeyKOFWETQJCHLVSZ-UHFFFAOYSA-N
MW462.50 g/mol
LogP1.82
Rot. Bonds11

About (2,5-dioxopyrrolidin-1-yl) 6-[2-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]acetyl]oxyhexanoate

(2,5-dioxopyrrolidin-1-yl) 6-[2-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]acetyl]oxyhexanoate (PubChem CID 58078485) has the molecular formula C23H30N2O8 and a molecular weight of 462.50 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 6-[2-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]acetyl]oxyhexanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 6-[2-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]acetyl]oxyhexanoate
PubChem CID58078485
Molecular FormulaC23H30N2O8
Molecular Weight462.50 g/mol
Exact Mass462.20
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 6-[2-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]acetyl]oxyhexanoate
SMILESO=C(CC1CCC(CN2C(=O)C=CC2=O)CC1)OCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C23H30N2O8/c26-18-9-10-19(27)24(18)15-17-7-5-16(6-8-17)14-23(31)32-13-3-1-2-4-22(30)33-25-20(28)11-12-21(25)29/h9-10,16-17H,1-8,11-15H2
InChIKeyKOFWETQJCHLVSZ-UHFFFAOYSA-N
XLogP1.82
TPSA127.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.50
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) 6-[2-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]acetyl]oxyhexanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-[2-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]acetyl]oxyhexanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-[2-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]acetyl]oxyhexanoate (CID 58078485) is (2,5-dioxopyrrolidin-1-yl) 6-[2-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]acetyl]oxyhexanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 6-[2-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]acetyl]oxyhexanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 6-[2-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]acetyl]oxyhexanoate is O=C(CC1CCC(CN2C(=O)C=CC2=O)CC1)OCCCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 6-[2-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]acetyl]oxyhexanoate?
The InChIKey is KOFWETQJCHLVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O8/c26-18-9-10-19(27)24(18)15-17-7-5-16(6-8-17)14-23(31)32-13-3-1-2-4-22(30)33-25-20(28)11-12-21(25)29/h9-10,16-17H,1-8,11-15H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 6-[2-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]acetyl]oxyhexanoate?
(2,5-dioxopyrrolidin-1-yl) 6-[2-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]acetyl]oxyhexanoate has a molecular weight of 462.50 g/mol, XLogP of 1.82, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 6-[2-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]acetyl]oxyhexanoate is sourced from PubChem (CID 58078485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).