2-cyclohexyl-5-[2-(4-methylphenyl)ethyl]isoindole-1,3-dione

C23H25NO2 — CID 59545457

IUPAC2-cyclohexyl-5-[2-(4-methylphenyl)ethyl]isoindole-1,3-dione
SMILESCc1ccc(CCc2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1
InChIInChI=1S/C23H25NO2/c1-16-7-9-17(10-8-16)11-12-18-13-14-20-21(15-18)23(26)24(22(20)25)19-5-3-2-4-6-19/h7-10,13-15,19H,2-6,11-12H2,1H3
InChIKeyGHUYSVUCEWTQAU-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.71
Rot. Bonds4

About 2-cyclohexyl-5-[2-(4-methylphenyl)ethyl]isoindole-1,3-dione

2-cyclohexyl-5-[2-(4-methylphenyl)ethyl]isoindole-1,3-dione (PubChem CID 59545457) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-cyclohexyl-5-[2-(4-methylphenyl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-cyclohexyl-5-[2-(4-methylphenyl)ethyl]isoindole-1,3-dione
PubChem CID59545457
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Name2-cyclohexyl-5-[2-(4-methylphenyl)ethyl]isoindole-1,3-dione
SMILESCc1ccc(CCc2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1
InChIInChI=1S/C23H25NO2/c1-16-7-9-17(10-8-16)11-12-18-13-14-20-21(15-18)23(26)24(22(20)25)19-5-3-2-4-6-19/h7-10,13-15,19H,2-6,11-12H2,1H3
InChIKeyGHUYSVUCEWTQAU-UHFFFAOYSA-N
XLogP4.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(4-methylphenyl)urea
CID 108873895
2-(azepan-4-yl)-5-methylisoindole-1,3-dione
CID 107174334
[2-(4-methylphenyl)-2-oxoethyl] 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate
CID 1216638
2-cyclodecylisoindole-1,3-dione
CID 123786237
N-[4-(2-amino-2-oxoethyl)phenyl]-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide
CID 39280369
3-chloro-1-cyclododecyl-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110584204
6-cyclopentyl-13-(4-methylcyclohexyl)-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 59469708
1-(2-cyclohexyl-1,3-dioxoisoindol-5-yl)-3-(3-phenylpropyl)urea
CID 108874248
2-cyclopropyl-5-methyl-3-methylideneisoindol-1-one
CID 142829652
4-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-methylamino]butanoic acid
CID 119173041
2-cyclohexyl-N-(2-hydroxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 78855304
2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)-ethylamino]acetic acid
CID 119206160

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-[2-(4-methylphenyl)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-cyclohexyl-5-[2-(4-methylphenyl)ethyl]isoindole-1,3-dione (CID 59545457) is 2-cyclohexyl-5-[2-(4-methylphenyl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-cyclohexyl-5-[2-(4-methylphenyl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-cyclohexyl-5-[2-(4-methylphenyl)ethyl]isoindole-1,3-dione is Cc1ccc(CCc2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)cc1.
What is the InChIKey of 2-cyclohexyl-5-[2-(4-methylphenyl)ethyl]isoindole-1,3-dione?
The InChIKey is GHUYSVUCEWTQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2/c1-16-7-9-17(10-8-16)11-12-18-13-14-20-21(15-18)23(26)24(22(20)25)19-5-3-2-4-6-19/h7-10,13-15,19H,2-6,11-12H2,1H3.
What are the key properties of 2-cyclohexyl-5-[2-(4-methylphenyl)ethyl]isoindole-1,3-dione?
2-cyclohexyl-5-[2-(4-methylphenyl)ethyl]isoindole-1,3-dione has a molecular weight of 347.46 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-[2-(4-methylphenyl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 59545457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).