[10-(1,3-dioxoisoindol-2-yl)-2,6-dioxodecan-5-yl] benzoate

C25H25NO6 — CID 101186079

IUPAC[10-(1,3-dioxoisoindol-2-yl)-2,6-dioxodecan-5-yl] benzoate
SMILESCC(=O)CCC(OC(=O)c1ccccc1)C(=O)CCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H25NO6/c1-17(27)14-15-22(32-25(31)18-9-3-2-4-10-18)21(28)13-7-8-16-26-23(29)19-11-5-6-12-20(19)24(26)30/h2-6,9-12,22H,7-8,13-16H2,1H3
InChIKeyGPOMWULOZHNREH-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.62
Rot. Bonds11

About [10-(1,3-dioxoisoindol-2-yl)-2,6-dioxodecan-5-yl] benzoate

[10-(1,3-dioxoisoindol-2-yl)-2,6-dioxodecan-5-yl] benzoate (PubChem CID 101186079) has the molecular formula C25H25NO6 and a molecular weight of 435.48 g/mol. Its IUPAC name is [10-(1,3-dioxoisoindol-2-yl)-2,6-dioxodecan-5-yl] benzoate.

Molecular Properties

Compound Name[10-(1,3-dioxoisoindol-2-yl)-2,6-dioxodecan-5-yl] benzoate
PubChem CID101186079
Molecular FormulaC25H25NO6
Molecular Weight435.48 g/mol
Exact Mass435.17
IUPAC Name[10-(1,3-dioxoisoindol-2-yl)-2,6-dioxodecan-5-yl] benzoate
SMILESCC(=O)CCC(OC(=O)c1ccccc1)C(=O)CCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H25NO6/c1-17(27)14-15-22(32-25(31)18-9-3-2-4-10-18)21(28)13-7-8-16-26-23(29)19-11-5-6-12-20(19)24(26)30/h2-6,9-12,22H,7-8,13-16H2,1H3
InChIKeyGPOMWULOZHNREH-UHFFFAOYSA-N
XLogP3.62
TPSA97.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [10-(1,3-dioxoisoindol-2-yl)-2,6-dioxodecan-5-yl] benzoate with MolForge

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Related Compounds

2-[(Z)-6-oxo-4-phenylhept-4-enyl]isoindole-1,3-dione
CID 15833092
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
6-(1,3-dioxoisoindol-2-yl)hexanoic acid;manganese
CID 174657326
2-[(Z)-5-bromo-9-oxodec-5-enyl]isoindole-1,3-dione
CID 11760619
2-[9-(hydroxymethyl)-8-oxoundecyl]isoindole-1,3-dione
CID 46176828
5-(1,3-dioxoisoindol-2-yl)pentanamide
CID 86775352
2-(5-bromo-6-oxoheptyl)isoindole-1,3-dione
CID 89147876
[5-(1,3-dioxoisoindol-2-yl)-3-oxopent-1-en-2-yl] benzoate
CID 101466449
(2S)-5-(1,3-dioxoisoindol-2-yl)-2-hydroxypentanoic acid
CID 22795885
ethyl 18-(1,3-dioxoisoindol-2-yl)octadecanoate
CID 70138302
8-(1,3-dioxoisoindol-2-yl)-3-oxooctanoic acid
CID 19828637
2-[(3R)-3-methyl-4-oxopentyl]isoindole-1,3-dione
CID 821234

Frequently Asked Questions

What is the IUPAC name of [10-(1,3-dioxoisoindol-2-yl)-2,6-dioxodecan-5-yl] benzoate?
The IUPAC name of [10-(1,3-dioxoisoindol-2-yl)-2,6-dioxodecan-5-yl] benzoate (CID 101186079) is [10-(1,3-dioxoisoindol-2-yl)-2,6-dioxodecan-5-yl] benzoate.
What is the SMILES notation for [10-(1,3-dioxoisoindol-2-yl)-2,6-dioxodecan-5-yl] benzoate?
The canonical SMILES for [10-(1,3-dioxoisoindol-2-yl)-2,6-dioxodecan-5-yl] benzoate is CC(=O)CCC(OC(=O)c1ccccc1)C(=O)CCCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of [10-(1,3-dioxoisoindol-2-yl)-2,6-dioxodecan-5-yl] benzoate?
The InChIKey is GPOMWULOZHNREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO6/c1-17(27)14-15-22(32-25(31)18-9-3-2-4-10-18)21(28)13-7-8-16-26-23(29)19-11-5-6-12-20(19)24(26)30/h2-6,9-12,22H,7-8,13-16H2,1H3.
What are the key properties of [10-(1,3-dioxoisoindol-2-yl)-2,6-dioxodecan-5-yl] benzoate?
[10-(1,3-dioxoisoindol-2-yl)-2,6-dioxodecan-5-yl] benzoate has a molecular weight of 435.48 g/mol, XLogP of 3.62, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [10-(1,3-dioxoisoindol-2-yl)-2,6-dioxodecan-5-yl] benzoate is sourced from PubChem (CID 101186079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).