5-[(2-hydroxyethylamino)methyl]-2-(2-methyl-3-phenylphenyl)isoindole-1,3-dione

C₂₄H₂₂N₂O₃ — CID 156771398

About 5-[(2-hydroxyethylamino)methyl]-2-(2-methyl-3-phenylphenyl)isoindole-1,3-dione

5-[(2-hydroxyethylamino)methyl]-2-(2-methyl-3-phenylphenyl)isoindole-1,3-dione (PubChem CID 156771398) has the molecular formula C₂₄H₂₂N₂O₃ and a molecular weight of 386.45 g/mol. Its IUPAC name is 5-[(2-hydroxyethylamino)methyl]-2-(2-methyl-3-phenylphenyl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[(2-hydroxyethylamino)methyl]-2-(2-methyl-3-phenylphenyl)isoindole-1,3-dione
• PubChem CID: 156771398
• Molecular Formula: C₂₄H₂₂N₂O₃
• Molecular Weight: 386.45 g/mol
• Exact Mass: 386.16
• IUPAC Name: 5-[(2-hydroxyethylamino)methyl]-2-(2-methyl-3-phenylphenyl)isoindole-1,3-dione
• SMILES: Cc1c(-c2ccccc2)cccc1N1C(=O)c2ccc(CNCCO)cc2C1=O
• InChI: InChI=1S/C24H22N2O3/c1-16-19(18-6-3-2-4-7-18)8-5-9-22(16)26-23(28)20-11-10-17(15-25-12-13-27)14-21(20)24(26)29/h2-11,14,25,27H,12-13,15H2,1H3
• InChIKey: PGUZYYMEKNOKRR-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 69.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.45
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxyethylamino)methyl]-2-(2-methyl-3-phenylphenyl)isoindole-1,3-dione?

The IUPAC name of 5-[(2-hydroxyethylamino)methyl]-2-(2-methyl-3-phenylphenyl)isoindole-1,3-dione (CID 156771398) is 5-[(2-hydroxyethylamino)methyl]-2-(2-methyl-3-phenylphenyl)isoindole-1,3-dione.

What is the SMILES notation for 5-[(2-hydroxyethylamino)methyl]-2-(2-methyl-3-phenylphenyl)isoindole-1,3-dione?

The canonical SMILES for 5-[(2-hydroxyethylamino)methyl]-2-(2-methyl-3-phenylphenyl)isoindole-1,3-dione is Cc1c(-c2ccccc2)cccc1N1C(=O)c2ccc(CNCCO)cc2C1=O.

What is the InChIKey of 5-[(2-hydroxyethylamino)methyl]-2-(2-methyl-3-phenylphenyl)isoindole-1,3-dione?

The InChIKey is PGUZYYMEKNOKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-16-19(18-6-3-2-4-7-18)8-5-9-22(16)26-23(28)20-11-10-17(15-25-12-13-27)14-21(20)24(26)29/h2-11,14,25,27H,12-13,15H2,1H3.

What are the key properties of 5-[(2-hydroxyethylamino)methyl]-2-(2-methyl-3-phenylphenyl)isoindole-1,3-dione?

5-[(2-hydroxyethylamino)methyl]-2-(2-methyl-3-phenylphenyl)isoindole-1,3-dione has a molecular weight of 386.45 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-hydroxyethylamino)methyl]-2-(2-methyl-3-phenylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 156771398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156771398 — identifiers, structure, computed properties (public domain)

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