(2,5-dioxopyrrolidin-1-yl) 6-[3-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]propanoyloxy]hexanoate

C24H32N2O8 — CID 58290833

IUPAC(2,5-dioxopyrrolidin-1-yl) 6-[3-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]propanoyloxy]hexanoate
SMILESO=C(CCC1CCC(CN2C(=O)C=CC2=O)CC1)OCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C24H32N2O8/c27-19-10-11-20(28)25(19)16-18-7-5-17(6-8-18)9-14-23(31)33-15-3-1-2-4-24(32)34-26-21(29)12-13-22(26)30/h10-11,17-18H,1-9,12-16H2
InChIKeyBHERDDKKKHVHTQ-UHFFFAOYSA-N
MW476.53 g/mol
LogP2.21
Rot. Bonds12

About (2,5-dioxopyrrolidin-1-yl) 6-[3-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]propanoyloxy]hexanoate

(2,5-dioxopyrrolidin-1-yl) 6-[3-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]propanoyloxy]hexanoate (PubChem CID 58290833) has the molecular formula C24H32N2O8 and a molecular weight of 476.53 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 6-[3-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]propanoyloxy]hexanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 6-[3-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]propanoyloxy]hexanoate
PubChem CID58290833
Molecular FormulaC24H32N2O8
Molecular Weight476.53 g/mol
Exact Mass476.22
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 6-[3-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]propanoyloxy]hexanoate
SMILESO=C(CCC1CCC(CN2C(=O)C=CC2=O)CC1)OCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C24H32N2O8/c27-19-10-11-20(28)25(19)16-18-7-5-17(6-8-18)9-14-23(31)33-15-3-1-2-4-24(32)34-26-21(29)12-13-22(26)30/h10-11,17-18H,1-9,12-16H2
InChIKeyBHERDDKKKHVHTQ-UHFFFAOYSA-N
XLogP2.21
TPSA127.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 52.21
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-[3-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]propanoyloxy]hexanoate 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

Succinimidyl 4-(N-maleimidomethyl)cyclohexanecarboxylate
CID 125175
Pyrrolidin-1-yl 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate
CID 58185086
(2,5-Dioxopyrrol-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate
CID 11652864
(2,5-Dioxopyrrolidin-1-yl) 4-[2-(2,5-dioxopyrrol-1-yl)ethyl]cyclohexane-1-carboxylate
CID 19102527
(2,5-Dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]-1-formylcyclohexane-1-carboxylate
CID 19937118
(2,5-Dioxopyrrolidin-1-yl) 2-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate
CID 20086896
(2,5-Dioxopyrrolidin-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboperoxoate
CID 20089730
[4-[6-(2,5-Dioxopyrrol-1-yl)hexanoyloxymethyl]cyclohexyl]methyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 21359083
(2,5-Dioxopyrrolidin-1-yl) 1-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate
CID 22238105
[6-(2,5-Dioxopyrrolidin-1-yl)oxy-6-oxohexyl] 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate
CID 57587875
(2,5-Dioxopyrrolidin-1-yl) 6-[2-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]acetyl]oxyhexanoate
CID 58078485
Sodium (2,5-dioxopyrrolidin-4-id-1-yl) 4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexane-1-carboxylate
CID 58165834

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-[3-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]propanoyloxy]hexanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 6-[3-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]propanoyloxy]hexanoate (CID 58290833) is (2,5-dioxopyrrolidin-1-yl) 6-[3-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]propanoyloxy]hexanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 6-[3-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]propanoyloxy]hexanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 6-[3-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]propanoyloxy]hexanoate is O=C(CCC1CCC(CN2C(=O)C=CC2=O)CC1)OCCCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 6-[3-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]propanoyloxy]hexanoate?
The InChIKey is BHERDDKKKHVHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O8/c27-19-10-11-20(28)25(19)16-18-7-5-17(6-8-18)9-14-23(31)33-15-3-1-2-4-24(32)34-26-21(29)12-13-22(26)30/h10-11,17-18H,1-9,12-16H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 6-[3-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]propanoyloxy]hexanoate?
(2,5-dioxopyrrolidin-1-yl) 6-[3-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]propanoyloxy]hexanoate has a molecular weight of 476.53 g/mol, XLogP of 2.21, 12 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-[3-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]propanoyloxy]hexanoate is sourced from PubChem (CID 58290833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).