5-(1,3-dioxoisoindole-5-carbonyl)-2-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yl]isoindole-1,3-dione

C26H26N2O8 — CID 143753111

IUPAC5-(1,3-dioxoisoindole-5-carbonyl)-2-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yl]isoindole-1,3-dione
SMILESCC(CO)OCC(C)OCC(C)N1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)NC4=O)cc2C1=O
InChIInChI=1S/C26H26N2O8/c1-13(11-35-15(3)12-36-14(2)10-29)28-25(33)19-7-5-17(9-21(19)26(28)34)22(30)16-4-6-18-20(8-16)24(32)27-23(18)31/h4-9,13-15,29H,10-12H2,1-3H3,(H,27,31,32)
InChIKeyBRIFZKSGEOVTOB-UHFFFAOYSA-N
MW494.50 g/mol
LogP1.59
Rot. Bonds10

About 5-(1,3-dioxoisoindole-5-carbonyl)-2-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yl]isoindole-1,3-dione

5-(1,3-dioxoisoindole-5-carbonyl)-2-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yl]isoindole-1,3-dione (PubChem CID 143753111) has the molecular formula C26H26N2O8 and a molecular weight of 494.50 g/mol. Its IUPAC name is 5-(1,3-dioxoisoindole-5-carbonyl)-2-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name5-(1,3-dioxoisoindole-5-carbonyl)-2-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yl]isoindole-1,3-dione
PubChem CID143753111
Molecular FormulaC26H26N2O8
Molecular Weight494.50 g/mol
Exact Mass494.17
IUPAC Name5-(1,3-dioxoisoindole-5-carbonyl)-2-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yl]isoindole-1,3-dione
SMILESCC(CO)OCC(C)OCC(C)N1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)NC4=O)cc2C1=O
InChIInChI=1S/C26H26N2O8/c1-13(11-35-15(3)12-36-14(2)10-29)28-25(33)19-7-5-17(9-21(19)26(28)34)22(30)16-4-6-18-20(8-16)24(32)27-23(18)31/h4-9,13-15,29H,10-12H2,1-3H3,(H,27,31,32)
InChIKeyBRIFZKSGEOVTOB-UHFFFAOYSA-N
XLogP1.59
TPSA139.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.50
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dioxoisoindole-5-carbonyl)-2-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yl]isoindole-1,3-dione?
The IUPAC name of 5-(1,3-dioxoisoindole-5-carbonyl)-2-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yl]isoindole-1,3-dione (CID 143753111) is 5-(1,3-dioxoisoindole-5-carbonyl)-2-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 5-(1,3-dioxoisoindole-5-carbonyl)-2-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yl]isoindole-1,3-dione?
The canonical SMILES for 5-(1,3-dioxoisoindole-5-carbonyl)-2-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yl]isoindole-1,3-dione is CC(CO)OCC(C)OCC(C)N1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)NC4=O)cc2C1=O.
What is the InChIKey of 5-(1,3-dioxoisoindole-5-carbonyl)-2-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yl]isoindole-1,3-dione?
The InChIKey is BRIFZKSGEOVTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O8/c1-13(11-35-15(3)12-36-14(2)10-29)28-25(33)19-7-5-17(9-21(19)26(28)34)22(30)16-4-6-18-20(8-16)24(32)27-23(18)31/h4-9,13-15,29H,10-12H2,1-3H3,(H,27,31,32).
What are the key properties of 5-(1,3-dioxoisoindole-5-carbonyl)-2-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yl]isoindole-1,3-dione?
5-(1,3-dioxoisoindole-5-carbonyl)-2-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yl]isoindole-1,3-dione has a molecular weight of 494.50 g/mol, XLogP of 1.59, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dioxoisoindole-5-carbonyl)-2-[1-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 143753111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).