2-(1-hydroxypropan-2-yl)-5-[2-(1-hydroxypropan-2-yl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione

C22H20N2O7 — CID 171422463

IUPAC2-(1-hydroxypropan-2-yl)-5-[2-(1-hydroxypropan-2-yl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
SMILESCC(CO)N1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(C(C)CO)C4=O)cc2C1=O
InChIInChI=1S/C22H20N2O7/c1-11(9-25)23-19(27)15-5-3-13(7-17(15)21(23)29)31-14-4-6-16-18(8-14)22(30)24(20(16)28)12(2)10-26/h3-8,11-12,25-26H,9-10H2,1-2H3
InChIKeyIWXPBJNPMJQLAK-UHFFFAOYSA-N
MW424.41 g/mol
LogP1.43
Rot. Bonds6

About 2-(1-hydroxypropan-2-yl)-5-[2-(1-hydroxypropan-2-yl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione

2-(1-hydroxypropan-2-yl)-5-[2-(1-hydroxypropan-2-yl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione (PubChem CID 171422463) has the molecular formula C22H20N2O7 and a molecular weight of 424.41 g/mol. Its IUPAC name is 2-(1-hydroxypropan-2-yl)-5-[2-(1-hydroxypropan-2-yl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione.

Molecular Properties

Compound Name2-(1-hydroxypropan-2-yl)-5-[2-(1-hydroxypropan-2-yl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
PubChem CID171422463
Molecular FormulaC22H20N2O7
Molecular Weight424.41 g/mol
Exact Mass424.13
IUPAC Name2-(1-hydroxypropan-2-yl)-5-[2-(1-hydroxypropan-2-yl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
SMILESCC(CO)N1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(C(C)CO)C4=O)cc2C1=O
InChIInChI=1S/C22H20N2O7/c1-11(9-25)23-19(27)15-5-3-13(7-17(15)21(23)29)31-14-4-6-16-18(8-14)22(30)24(20(16)28)12(2)10-26/h3-8,11-12,25-26H,9-10H2,1-2H3
InChIKeyIWXPBJNPMJQLAK-UHFFFAOYSA-N
XLogP1.43
TPSA124.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.41
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2,2-bis[1,3-dioxo-5-(4-propoxyphenoxy)isoindol-2-yl]acetate
CID 67111404
2-butan-2-yl-5-hydroxyisoindole-1,3-dione
CID 130033227
5-(4-aminophenoxy)-2-(2-methylpropyl)isoindole-1,3-dione
CID 8545276
4-[1,3-dioxo-2-(1-phenylethyl)isoindol-5-yl]oxybenzoate
CID 3519154
2-(2-methoxyethyl)-5-[2-(2-methoxyethyl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
CID 2232828
2-[(2R,4R)-4-(1,3-dioxoisoindol-2-yl)pentan-2-yl]isoindole-1,3-dione
CID 100990759
2-methyl-5-[4-[2-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]propyl]phenoxy]isoindole-1,3-dione
CID 140936134
2-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-methylisoindole-1,3-dione
CID 79244817
[5-(2-ethylsulfonyloxy-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl] ethanesulfonate
CID 23023046
5-bromo-2-(4-hydroxy-3-methylbutan-2-yl)isoindole-1,3-dione
CID 113484928
2-[5-[4-[2-(2-acetyloxyethyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]-1,3-dioxoisoindol-2-yl]ethyl acetate
CID 5210469
5-bromo-2-(1-hydroxybutan-2-yl)isoindole-1,3-dione
CID 61208289

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxypropan-2-yl)-5-[2-(1-hydroxypropan-2-yl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione?
The IUPAC name of 2-(1-hydroxypropan-2-yl)-5-[2-(1-hydroxypropan-2-yl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione (CID 171422463) is 2-(1-hydroxypropan-2-yl)-5-[2-(1-hydroxypropan-2-yl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione.
What is the SMILES notation for 2-(1-hydroxypropan-2-yl)-5-[2-(1-hydroxypropan-2-yl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione?
The canonical SMILES for 2-(1-hydroxypropan-2-yl)-5-[2-(1-hydroxypropan-2-yl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione is CC(CO)N1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(C(C)CO)C4=O)cc2C1=O.
What is the InChIKey of 2-(1-hydroxypropan-2-yl)-5-[2-(1-hydroxypropan-2-yl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione?
The InChIKey is IWXPBJNPMJQLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O7/c1-11(9-25)23-19(27)15-5-3-13(7-17(15)21(23)29)31-14-4-6-16-18(8-14)22(30)24(20(16)28)12(2)10-26/h3-8,11-12,25-26H,9-10H2,1-2H3.
What are the key properties of 2-(1-hydroxypropan-2-yl)-5-[2-(1-hydroxypropan-2-yl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione?
2-(1-hydroxypropan-2-yl)-5-[2-(1-hydroxypropan-2-yl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione has a molecular weight of 424.41 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxypropan-2-yl)-5-[2-(1-hydroxypropan-2-yl)-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione is sourced from PubChem (CID 171422463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).