2-[2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione

C23H24N2O2 — CID 90655807

IUPAC2-[2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione
SMILESCc1cc(C)cc(C2=CCN(CCN3C(=O)c4ccccc4C3=O)CC2)c1
InChIInChI=1S/C23H24N2O2/c1-16-13-17(2)15-19(14-16)18-7-9-24(10-8-18)11-12-25-22(26)20-5-3-4-6-21(20)23(25)27/h3-7,13-15H,8-12H2,1-2H3
InChIKeyPMNJGGVAOGYYGJ-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.69
Rot. Bonds4

About 2-[2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione

2-[2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione (PubChem CID 90655807) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione
PubChem CID90655807
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name2-[2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione
SMILESCc1cc(C)cc(C2=CCN(CCN3C(=O)c4ccccc4C3=O)CC2)c1
InChIInChI=1S/C23H24N2O2/c1-16-13-17(2)15-19(14-16)18-7-9-24(10-8-18)11-12-25-22(26)20-5-3-4-6-21(20)23(25)27/h3-7,13-15H,8-12H2,1-2H3
InChIKeyPMNJGGVAOGYYGJ-UHFFFAOYSA-N
XLogP3.69
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione (CID 90655807) is 2-[2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione is Cc1cc(C)cc(C2=CCN(CCN3C(=O)c4ccccc4C3=O)CC2)c1.
What is the InChIKey of 2-[2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione?
The InChIKey is PMNJGGVAOGYYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-16-13-17(2)15-19(14-16)18-7-9-24(10-8-18)11-12-25-22(26)20-5-3-4-6-21(20)23(25)27/h3-7,13-15H,8-12H2,1-2H3.
What are the key properties of 2-[2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione?
2-[2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione has a molecular weight of 360.46 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3,5-dimethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 90655807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).