6-[methyl-[(2-methylphenyl)methyl]amino]-1H-indole-2,3-dione

C17H16N2O2 — CID 61411647

IUPAC6-[methyl-[(2-methylphenyl)methyl]amino]-1H-indole-2,3-dione
SMILESCc1ccccc1CN(C)c1ccc2c(c1)NC(=O)C2=O
InChIInChI=1S/C17H16N2O2/c1-11-5-3-4-6-12(11)10-19(2)13-7-8-14-15(9-13)18-17(21)16(14)20/h3-9H,10H2,1-2H3,(H,18,20,21)
InChIKeyJAVCRYRPKOTREO-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.77
Rot. Bonds3

About 6-[methyl-[(2-methylphenyl)methyl]amino]-1H-indole-2,3-dione

6-[methyl-[(2-methylphenyl)methyl]amino]-1H-indole-2,3-dione (PubChem CID 61411647) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 6-[methyl-[(2-methylphenyl)methyl]amino]-1H-indole-2,3-dione.

Molecular Properties

Compound Name6-[methyl-[(2-methylphenyl)methyl]amino]-1H-indole-2,3-dione
PubChem CID61411647
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name6-[methyl-[(2-methylphenyl)methyl]amino]-1H-indole-2,3-dione
SMILESCc1ccccc1CN(C)c1ccc2c(c1)NC(=O)C2=O
InChIInChI=1S/C17H16N2O2/c1-11-5-3-4-6-12(11)10-19(2)13-7-8-14-15(9-13)18-17(21)16(14)20/h3-9H,10H2,1-2H3,(H,18,20,21)
InChIKeyJAVCRYRPKOTREO-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[methyl-[(2-methylphenyl)methyl]amino]-1H-indole-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one
CID 6450842
1-Benzylisatin
CID 264734
1-hexadecyl-1H-indole-2,3-dione
CID 3772674
5-Phenylisatin
CID 14810157
2-(1,3-Dioxo-1,3-dihydro-isoindol-2-YL)-N-P-tolyl-acetamide
CID 344672
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-o-tolyl-propionamide
CID 721309
(S)-N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide
CID 2817619
1-Phenethylindoline-2,3-dione
CID 1894707
1-Dodecylindoline-2,3-dione
CID 1897797
1-((E)-3-phenylprop-2-enyl)indole-2,3-dione
CID 2057118
3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(3-methylphenyl)propanamide
CID 682204
N-(2,4-Dimethyl-phenyl)-2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetamide
CID 2785144

Frequently Asked Questions

What is the IUPAC name of 6-[methyl-[(2-methylphenyl)methyl]amino]-1H-indole-2,3-dione?
The IUPAC name of 6-[methyl-[(2-methylphenyl)methyl]amino]-1H-indole-2,3-dione (CID 61411647) is 6-[methyl-[(2-methylphenyl)methyl]amino]-1H-indole-2,3-dione.
What is the SMILES notation for 6-[methyl-[(2-methylphenyl)methyl]amino]-1H-indole-2,3-dione?
The canonical SMILES for 6-[methyl-[(2-methylphenyl)methyl]amino]-1H-indole-2,3-dione is Cc1ccccc1CN(C)c1ccc2c(c1)NC(=O)C2=O.
What is the InChIKey of 6-[methyl-[(2-methylphenyl)methyl]amino]-1H-indole-2,3-dione?
The InChIKey is JAVCRYRPKOTREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11-5-3-4-6-12(11)10-19(2)13-7-8-14-15(9-13)18-17(21)16(14)20/h3-9H,10H2,1-2H3,(H,18,20,21).
What are the key properties of 6-[methyl-[(2-methylphenyl)methyl]amino]-1H-indole-2,3-dione?
6-[methyl-[(2-methylphenyl)methyl]amino]-1H-indole-2,3-dione has a molecular weight of 280.33 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-[(2-methylphenyl)methyl]amino]-1H-indole-2,3-dione is sourced from PubChem (CID 61411647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).