[4-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]oxyphenyl] 1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxylate

C34H28N2O10 — CID 46498786

IUPAC[4-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]oxyphenyl] 1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxylate
SMILESO=C(Oc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(CC2CCCO2)C3=O)cc1)c1ccc2c(c1)C(=O)N(CC1CCCO1)C2=O
InChIInChI=1S/C34H28N2O10/c37-29-25-11-5-19(15-27(25)31(39)35(29)17-23-3-1-13-43-23)33(41)45-21-7-9-22(10-8-21)46-34(42)20-6-12-26-28(16-20)32(40)36(30(26)38)18-24-4-2-14-44-24/h5-12,15-16,23-24H,1-4,13-14,17-18H2
InChIKeyPUBYBTBXORWTGN-UHFFFAOYSA-N
MW624.60 g/mol
LogP3.67
Rot. Bonds8

About [4-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]oxyphenyl] 1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxylate

[4-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]oxyphenyl] 1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxylate (PubChem CID 46498786) has the molecular formula C34H28N2O10 and a molecular weight of 624.60 g/mol. Its IUPAC name is [4-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]oxyphenyl] 1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxylate.

Molecular Properties

Compound Name[4-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]oxyphenyl] 1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxylate
PubChem CID46498786
Molecular FormulaC34H28N2O10
Molecular Weight624.60 g/mol
Exact Mass624.17
IUPAC Name[4-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]oxyphenyl] 1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxylate
SMILESO=C(Oc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(CC2CCCO2)C3=O)cc1)c1ccc2c(c1)C(=O)N(CC1CCCO1)C2=O
InChIInChI=1S/C34H28N2O10/c37-29-25-11-5-19(15-27(25)31(39)35(29)17-23-3-1-13-43-23)33(41)45-21-7-9-22(10-8-21)46-34(42)20-6-12-26-28(16-20)32(40)36(30(26)38)18-24-4-2-14-44-24/h5-12,15-16,23-24H,1-4,13-14,17-18H2
InChIKeyPUBYBTBXORWTGN-UHFFFAOYSA-N
XLogP3.67
TPSA145.82 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500624.60
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze [4-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]oxyphenyl] 1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxylate 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 [4-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]oxyphenyl] 1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxylate?
The IUPAC name of [4-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]oxyphenyl] 1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxylate (CID 46498786) is [4-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]oxyphenyl] 1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxylate.
What is the SMILES notation for [4-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]oxyphenyl] 1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxylate?
The canonical SMILES for [4-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]oxyphenyl] 1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxylate is O=C(Oc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(CC2CCCO2)C3=O)cc1)c1ccc2c(c1)C(=O)N(CC1CCCO1)C2=O.
What is the InChIKey of [4-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]oxyphenyl] 1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxylate?
The InChIKey is PUBYBTBXORWTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N2O10/c37-29-25-11-5-19(15-27(25)31(39)35(29)17-23-3-1-13-43-23)33(41)45-21-7-9-22(10-8-21)46-34(42)20-6-12-26-28(16-20)32(40)36(30(26)38)18-24-4-2-14-44-24/h5-12,15-16,23-24H,1-4,13-14,17-18H2.
What are the key properties of [4-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]oxyphenyl] 1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxylate?
[4-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]oxyphenyl] 1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxylate has a molecular weight of 624.60 g/mol, XLogP of 3.67, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]oxyphenyl] 1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxylate is sourced from PubChem (CID 46498786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).