5-(dimethylamino)-2-[4-(dimethylamino)phenyl]isoindole-1,3-dione

C18H19N3O2 — CID 25270867

IUPAC5-(dimethylamino)-2-[4-(dimethylamino)phenyl]isoindole-1,3-dione
SMILESCN(C)c1ccc(N2C(=O)c3ccc(N(C)C)cc3C2=O)cc1
InChIInChI=1S/C18H19N3O2/c1-19(2)12-5-7-13(8-6-12)21-17(22)15-10-9-14(20(3)4)11-16(15)18(21)23/h5-11H,1-4H3
InChIKeyISAJZHDZSPPJRT-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.62
Rot. Bonds3

About 5-(dimethylamino)-2-[4-(dimethylamino)phenyl]isoindole-1,3-dione

5-(dimethylamino)-2-[4-(dimethylamino)phenyl]isoindole-1,3-dione (PubChem CID 25270867) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-(dimethylamino)-2-[4-(dimethylamino)phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name5-(dimethylamino)-2-[4-(dimethylamino)phenyl]isoindole-1,3-dione
PubChem CID25270867
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name5-(dimethylamino)-2-[4-(dimethylamino)phenyl]isoindole-1,3-dione
SMILESCN(C)c1ccc(N2C(=O)c3ccc(N(C)C)cc3C2=O)cc1
InChIInChI=1S/C18H19N3O2/c1-19(2)12-5-7-13(8-6-12)21-17(22)15-10-9-14(20(3)4)11-16(15)18(21)23/h5-11H,1-4H3
InChIKeyISAJZHDZSPPJRT-UHFFFAOYSA-N
XLogP2.62
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-[4-(dimethylamino)phenyl]isoindole-1,3-dione?
The IUPAC name of 5-(dimethylamino)-2-[4-(dimethylamino)phenyl]isoindole-1,3-dione (CID 25270867) is 5-(dimethylamino)-2-[4-(dimethylamino)phenyl]isoindole-1,3-dione.
What is the SMILES notation for 5-(dimethylamino)-2-[4-(dimethylamino)phenyl]isoindole-1,3-dione?
The canonical SMILES for 5-(dimethylamino)-2-[4-(dimethylamino)phenyl]isoindole-1,3-dione is CN(C)c1ccc(N2C(=O)c3ccc(N(C)C)cc3C2=O)cc1.
What is the InChIKey of 5-(dimethylamino)-2-[4-(dimethylamino)phenyl]isoindole-1,3-dione?
The InChIKey is ISAJZHDZSPPJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-19(2)12-5-7-13(8-6-12)21-17(22)15-10-9-14(20(3)4)11-16(15)18(21)23/h5-11H,1-4H3.
What are the key properties of 5-(dimethylamino)-2-[4-(dimethylamino)phenyl]isoindole-1,3-dione?
5-(dimethylamino)-2-[4-(dimethylamino)phenyl]isoindole-1,3-dione has a molecular weight of 309.37 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-[4-(dimethylamino)phenyl]isoindole-1,3-dione is sourced from PubChem (CID 25270867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).