2-methyl-5-[(4-methylphenyl)methylamino]isoindole-1,3-dione

C17H16N2O2 — CID 10755204

IUPAC2-methyl-5-[(4-methylphenyl)methylamino]isoindole-1,3-dione
SMILESCc1ccc(CNc2ccc3c(c2)C(=O)N(C)C3=O)cc1
InChIInChI=1S/C17H16N2O2/c1-11-3-5-12(6-4-11)10-18-13-7-8-14-15(9-13)17(21)19(2)16(14)20/h3-9,18H,10H2,1-2H3
InChIKeyUOLGCJWEUOGVQI-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.83
Rot. Bonds3

About 2-methyl-5-[(4-methylphenyl)methylamino]isoindole-1,3-dione

2-methyl-5-[(4-methylphenyl)methylamino]isoindole-1,3-dione (PubChem CID 10755204) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-methyl-5-[(4-methylphenyl)methylamino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-methyl-5-[(4-methylphenyl)methylamino]isoindole-1,3-dione
PubChem CID10755204
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-methyl-5-[(4-methylphenyl)methylamino]isoindole-1,3-dione
SMILESCc1ccc(CNc2ccc3c(c2)C(=O)N(C)C3=O)cc1
InChIInChI=1S/C17H16N2O2/c1-11-3-5-12(6-4-11)10-18-13-7-8-14-15(9-13)17(21)19(2)16(14)20/h3-9,18H,10H2,1-2H3
InChIKeyUOLGCJWEUOGVQI-UHFFFAOYSA-N
XLogP2.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
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-methyl-5-[(4-methylphenyl)methylamino]isoindole-1,3-dione?
The IUPAC name of 2-methyl-5-[(4-methylphenyl)methylamino]isoindole-1,3-dione (CID 10755204) is 2-methyl-5-[(4-methylphenyl)methylamino]isoindole-1,3-dione.
What is the SMILES notation for 2-methyl-5-[(4-methylphenyl)methylamino]isoindole-1,3-dione?
The canonical SMILES for 2-methyl-5-[(4-methylphenyl)methylamino]isoindole-1,3-dione is Cc1ccc(CNc2ccc3c(c2)C(=O)N(C)C3=O)cc1.
What is the InChIKey of 2-methyl-5-[(4-methylphenyl)methylamino]isoindole-1,3-dione?
The InChIKey is UOLGCJWEUOGVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11-3-5-12(6-4-11)10-18-13-7-8-14-15(9-13)17(21)19(2)16(14)20/h3-9,18H,10H2,1-2H3.
What are the key properties of 2-methyl-5-[(4-methylphenyl)methylamino]isoindole-1,3-dione?
2-methyl-5-[(4-methylphenyl)methylamino]isoindole-1,3-dione has a molecular weight of 280.33 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(4-methylphenyl)methylamino]isoindole-1,3-dione is sourced from PubChem (CID 10755204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).