2-(1-hydroxybutan-2-yl)-5-[2-(1-hydroxybutan-2-yl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione

C25H24N2O7 — CID 12006910

IUPAC2-(1-hydroxybutan-2-yl)-5-[2-(1-hydroxybutan-2-yl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
SMILESCCC(CO)N1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(C(CC)CO)C4=O)cc2C1=O
InChIInChI=1S/C25H24N2O7/c1-3-15(11-28)26-22(31)17-7-5-13(9-19(17)24(26)33)21(30)14-6-8-18-20(10-14)25(34)27(23(18)32)16(4-2)12-29/h5-10,15-16,28-29H,3-4,11-12H2,1-2H3
InChIKeyVNUKRUPZTJSKCV-UHFFFAOYSA-N
MW464.47 g/mol
LogP1.65
Rot. Bonds8

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

2-(1-hydroxybutan-2-yl)-5-[2-(1-hydroxybutan-2-yl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione (PubChem CID 12006910) has the molecular formula C25H24N2O7 and a molecular weight of 464.47 g/mol. Its IUPAC name is 2-(1-hydroxybutan-2-yl)-5-[2-(1-hydroxybutan-2-yl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-(1-hydroxybutan-2-yl)-5-[2-(1-hydroxybutan-2-yl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
PubChem CID12006910
Molecular FormulaC25H24N2O7
Molecular Weight464.47 g/mol
Exact Mass464.16
IUPAC Name2-(1-hydroxybutan-2-yl)-5-[2-(1-hydroxybutan-2-yl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
SMILESCCC(CO)N1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(C(CC)CO)C4=O)cc2C1=O
InChIInChI=1S/C25H24N2O7/c1-3-15(11-28)26-22(31)17-7-5-13(9-19(17)24(26)33)21(30)14-6-8-18-20(10-14)25(34)27(23(18)32)16(4-2)12-29/h5-10,15-16,28-29H,3-4,11-12H2,1-2H3
InChIKeyVNUKRUPZTJSKCV-UHFFFAOYSA-N
XLogP1.65
TPSA132.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.47
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(1-hydroxybutan-2-yl)-5-[2-(1-hydroxybutan-2-yl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione with MolForge

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Related Compounds

5-bromo-2-(1-hydroxybutan-2-yl)isoindole-1,3-dione
CID 61208289
2-[(2S)-1-hydroxybutan-2-yl]benzo[de]isoquinoline-1,3-dione
CID 7472002
1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide;propane
CID 145140796
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
6-chloro-2-[(2S)-1-hydroxybutan-2-yl]benzo[de]isoquinoline-1,3-dione
CID 95988055
2-hexan-3-yl-5-methylisoindole-1,3-dione
CID 123821661
4-(1,3-dioxo-2-propylisoindole-5-carbonyl)benzoic acid
CID 755791
(2S)-2-[5-[2-[(2S)-1-chloro-1-oxo-3-phenylpropan-2-yl]-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]-3-phenylpropanoyl chloride
CID 102463375
1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide
CID 82041242
2-octadecyl-5-[2-[[5-(2-octadecyl-1,3-dioxoisoindole-5-carbonyl)-1,3-dioxoisoindol-2-yl]methyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
CID 59475379
2-(1-ethoxy-1-oxopropan-2-yl)-1,3-dioxoisoindole-5-carboxylic acid
CID 61498776
2-(1-aminopentan-3-yl)-5-methylisoindole-1,3-dione
CID 62651246

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxybutan-2-yl)-5-[2-(1-hydroxybutan-2-yl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione?
The IUPAC name of 2-(1-hydroxybutan-2-yl)-5-[2-(1-hydroxybutan-2-yl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione (CID 12006910) is 2-(1-hydroxybutan-2-yl)-5-[2-(1-hydroxybutan-2-yl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione.
What is the SMILES notation for 2-(1-hydroxybutan-2-yl)-5-[2-(1-hydroxybutan-2-yl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione?
The canonical SMILES for 2-(1-hydroxybutan-2-yl)-5-[2-(1-hydroxybutan-2-yl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione is CCC(CO)N1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(C(CC)CO)C4=O)cc2C1=O.
What is the InChIKey of 2-(1-hydroxybutan-2-yl)-5-[2-(1-hydroxybutan-2-yl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione?
The InChIKey is VNUKRUPZTJSKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O7/c1-3-15(11-28)26-22(31)17-7-5-13(9-19(17)24(26)33)21(30)14-6-8-18-20(10-14)25(34)27(23(18)32)16(4-2)12-29/h5-10,15-16,28-29H,3-4,11-12H2,1-2H3.
What are the key properties of 2-(1-hydroxybutan-2-yl)-5-[2-(1-hydroxybutan-2-yl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione?
2-(1-hydroxybutan-2-yl)-5-[2-(1-hydroxybutan-2-yl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione has a molecular weight of 464.47 g/mol, XLogP of 1.65, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxybutan-2-yl)-5-[2-(1-hydroxybutan-2-yl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione is sourced from PubChem (CID 12006910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).