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

C24H22N2O3 — CID 156771398

IUPAC5-[(2-hydroxyethylamino)methyl]-2-(2-methyl-3-phenylphenyl)isoindole-1,3-dione
SMILESCc1c(-c2ccccc2)cccc1N1C(=O)c2ccc(CNCCO)cc2C1=O
InChIInChI=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
InChIKeyPGUZYYMEKNOKRR-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.54
Rot. Bonds6

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 Name5-[(2-hydroxyethylamino)methyl]-2-(2-methyl-3-phenylphenyl)isoindole-1,3-dione
PubChem CID156771398
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name5-[(2-hydroxyethylamino)methyl]-2-(2-methyl-3-phenylphenyl)isoindole-1,3-dione
SMILESCc1c(-c2ccccc2)cccc1N1C(=O)c2ccc(CNCCO)cc2C1=O
InChIInChI=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
InChIKeyPGUZYYMEKNOKRR-UHFFFAOYSA-N
XLogP3.54
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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).