5-(1,3-dioxo-2-pentan-3-ylisoindol-5-yl)-2-(4-pentan-3-ylphenyl)isoindole-1,3-dione

C32H32N2O4 — CID 155485330

IUPAC5-(1,3-dioxo-2-pentan-3-ylisoindol-5-yl)-2-(4-pentan-3-ylphenyl)isoindole-1,3-dione
SMILESCCC(CC)c1ccc(N2C(=O)c3ccc(-c4ccc5c(c4)C(=O)N(C(CC)CC)C5=O)cc3C2=O)cc1
InChIInChI=1S/C32H32N2O4/c1-5-19(6-2)20-9-13-24(14-10-20)34-30(36)26-16-12-22(18-28(26)32(34)38)21-11-15-25-27(17-21)31(37)33(29(25)35)23(7-3)8-4/h9-19,23H,5-8H2,1-4H3
InChIKeyYIUHTLRLTNIOJS-UHFFFAOYSA-N
MW508.62 g/mol
LogP6.84
Rot. Bonds8

About 5-(1,3-dioxo-2-pentan-3-ylisoindol-5-yl)-2-(4-pentan-3-ylphenyl)isoindole-1,3-dione

5-(1,3-dioxo-2-pentan-3-ylisoindol-5-yl)-2-(4-pentan-3-ylphenyl)isoindole-1,3-dione (PubChem CID 155485330) has the molecular formula C32H32N2O4 and a molecular weight of 508.62 g/mol. Its IUPAC name is 5-(1,3-dioxo-2-pentan-3-ylisoindol-5-yl)-2-(4-pentan-3-ylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-(1,3-dioxo-2-pentan-3-ylisoindol-5-yl)-2-(4-pentan-3-ylphenyl)isoindole-1,3-dione
PubChem CID155485330
Molecular FormulaC32H32N2O4
Molecular Weight508.62 g/mol
Exact Mass508.24
IUPAC Name5-(1,3-dioxo-2-pentan-3-ylisoindol-5-yl)-2-(4-pentan-3-ylphenyl)isoindole-1,3-dione
SMILESCCC(CC)c1ccc(N2C(=O)c3ccc(-c4ccc5c(c4)C(=O)N(C(CC)CC)C5=O)cc3C2=O)cc1
InChIInChI=1S/C32H32N2O4/c1-5-19(6-2)20-9-13-24(14-10-20)34-30(36)26-16-12-22(18-28(26)32(34)38)21-11-15-25-27(17-21)31(37)33(29(25)35)23(7-3)8-4/h9-19,23H,5-8H2,1-4H3
InChIKeyYIUHTLRLTNIOJS-UHFFFAOYSA-N
XLogP6.84
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.62
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-pentan-3-yl-13-[4-[4-[4-(4-pentan-3-ylphenoxy)phenyl]sulfonylphenoxy]phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 146355771
2-(4-hexoxyphenyl)-5-[2-(4-hexoxyphenyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione
CID 102095160
2-(4-octoxyphenyl)-5-[2-(4-octoxyphenyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione
CID 101452909
6-pentan-3-yl-13-(2,3,5,6-tetrafluoro-4-pentan-3-ylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 146355844
2-hexan-3-yl-5-methylisoindole-1,3-dione
CID 123821661
ethane;5-(1-methylidene-3-oxo-2-propan-2-ylisoindol-5-yl)-2-[3-methyl-4-(2-methyl-4-propan-2-ylphenyl)phenyl]isoindole-1,3-dione
CID 176936416
5-(1,3-dioxo-2-phenylisoindol-5-yl)-2-phenylisoindole-1,3-dione;bis(2-phenylisoindole-1,3-dione);bis(tungsten(2+))
CID 171415465
5-bromo-2-(1-hydroxybutan-2-yl)isoindole-1,3-dione
CID 61208289
2-[4-[2,3-ditert-butyl-4-[4-[5-(4-methylphenyl)-1,3-dioxoisoindol-2-yl]phenyl]phenyl]phenyl]-5-(4-methylphenyl)isoindole-1,3-dione
CID 162769294
2-(1-aminopentan-3-yl)-5-methylisoindole-1,3-dione
CID 62651246
(2R)-2-[4-(1,3-dioxoisoindol-2-yl)phenyl]butanoic acid
CID 92953781
2-(1-hydroxybutan-2-yl)-5-[2-(1-hydroxybutan-2-yl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
CID 12006910

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dioxo-2-pentan-3-ylisoindol-5-yl)-2-(4-pentan-3-ylphenyl)isoindole-1,3-dione?
The IUPAC name of 5-(1,3-dioxo-2-pentan-3-ylisoindol-5-yl)-2-(4-pentan-3-ylphenyl)isoindole-1,3-dione (CID 155485330) is 5-(1,3-dioxo-2-pentan-3-ylisoindol-5-yl)-2-(4-pentan-3-ylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 5-(1,3-dioxo-2-pentan-3-ylisoindol-5-yl)-2-(4-pentan-3-ylphenyl)isoindole-1,3-dione?
The canonical SMILES for 5-(1,3-dioxo-2-pentan-3-ylisoindol-5-yl)-2-(4-pentan-3-ylphenyl)isoindole-1,3-dione is CCC(CC)c1ccc(N2C(=O)c3ccc(-c4ccc5c(c4)C(=O)N(C(CC)CC)C5=O)cc3C2=O)cc1.
What is the InChIKey of 5-(1,3-dioxo-2-pentan-3-ylisoindol-5-yl)-2-(4-pentan-3-ylphenyl)isoindole-1,3-dione?
The InChIKey is YIUHTLRLTNIOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O4/c1-5-19(6-2)20-9-13-24(14-10-20)34-30(36)26-16-12-22(18-28(26)32(34)38)21-11-15-25-27(17-21)31(37)33(29(25)35)23(7-3)8-4/h9-19,23H,5-8H2,1-4H3.
What are the key properties of 5-(1,3-dioxo-2-pentan-3-ylisoindol-5-yl)-2-(4-pentan-3-ylphenyl)isoindole-1,3-dione?
5-(1,3-dioxo-2-pentan-3-ylisoindol-5-yl)-2-(4-pentan-3-ylphenyl)isoindole-1,3-dione has a molecular weight of 508.62 g/mol, XLogP of 6.84, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dioxo-2-pentan-3-ylisoindol-5-yl)-2-(4-pentan-3-ylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 155485330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).