2-[2-[4-(1-cyclohexylethenyl)phenyl]ethyl]isoindole-1,3-dione

C24H25NO2 — CID 19817535

IUPAC2-[2-[4-(1-cyclohexylethenyl)phenyl]ethyl]isoindole-1,3-dione
SMILESC=C(c1ccc(CCN2C(=O)c3ccccc3C2=O)cc1)C1CCCCC1
InChIInChI=1S/C24H25NO2/c1-17(19-7-3-2-4-8-19)20-13-11-18(12-14-20)15-16-25-23(26)21-9-5-6-10-22(21)24(25)27/h5-6,9-14,19H,1-4,7-8,15-16H2
InChIKeyNEGOBLWZXSDFLY-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.12
Rot. Bonds5

About 2-[2-[4-(1-cyclohexylethenyl)phenyl]ethyl]isoindole-1,3-dione

2-[2-[4-(1-cyclohexylethenyl)phenyl]ethyl]isoindole-1,3-dione (PubChem CID 19817535) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-[2-[4-(1-cyclohexylethenyl)phenyl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[4-(1-cyclohexylethenyl)phenyl]ethyl]isoindole-1,3-dione
PubChem CID19817535
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name2-[2-[4-(1-cyclohexylethenyl)phenyl]ethyl]isoindole-1,3-dione
SMILESC=C(c1ccc(CCN2C(=O)c3ccccc3C2=O)cc1)C1CCCCC1
InChIInChI=1S/C24H25NO2/c1-17(19-7-3-2-4-8-19)20-13-11-18(12-14-20)15-16-25-23(26)21-9-5-6-10-22(21)24(25)27/h5-6,9-14,19H,1-4,7-8,15-16H2
InChIKeyNEGOBLWZXSDFLY-UHFFFAOYSA-N
XLogP5.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.12
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

N-[2-(cyclohexanecarbonylamino)ethyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 55805700
N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]cyclopentanesulfonamide
CID 110311233
2-[2-(4-aminophenyl)ethyl]isoindole-1,3-dione
CID 10849371
2-[2-(4-sulfanylphenyl)ethyl]isoindole-1,3-dione
CID 53469378
N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-2-(oxan-2-yl)acetamide
CID 110632886
2-[2-(4-phenoxyphenyl)ethyl]isoindole-1,3-dione
CID 57228400
2-[2-[4-[(E)-2-phenylethenyl]phenyl]ethyl]isoindole-1,3-dione
CID 15036635
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidine-2-carboxylic acid
CID 82224049
2-(2-phenylethyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 17359933
[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl] 4-methoxybenzoate
CID 7212632
5-(4-hydroxypiperidine-1-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione
CID 78802542
2-[3-(4-hydroxyphenyl)propyl]isoindole-1,3-dione
CID 58707349

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(1-cyclohexylethenyl)phenyl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[4-(1-cyclohexylethenyl)phenyl]ethyl]isoindole-1,3-dione (CID 19817535) is 2-[2-[4-(1-cyclohexylethenyl)phenyl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[4-(1-cyclohexylethenyl)phenyl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[4-(1-cyclohexylethenyl)phenyl]ethyl]isoindole-1,3-dione is C=C(c1ccc(CCN2C(=O)c3ccccc3C2=O)cc1)C1CCCCC1.
What is the InChIKey of 2-[2-[4-(1-cyclohexylethenyl)phenyl]ethyl]isoindole-1,3-dione?
The InChIKey is NEGOBLWZXSDFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2/c1-17(19-7-3-2-4-8-19)20-13-11-18(12-14-20)15-16-25-23(26)21-9-5-6-10-22(21)24(25)27/h5-6,9-14,19H,1-4,7-8,15-16H2.
What are the key properties of 2-[2-[4-(1-cyclohexylethenyl)phenyl]ethyl]isoindole-1,3-dione?
2-[2-[4-(1-cyclohexylethenyl)phenyl]ethyl]isoindole-1,3-dione has a molecular weight of 359.47 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(1-cyclohexylethenyl)phenyl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 19817535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).