5-[(2-methoxyphenyl)methylamino]-2-methylisoindole-1,3-dione

C17H16N2O3 — CID 43823713

IUPAC5-[(2-methoxyphenyl)methylamino]-2-methylisoindole-1,3-dione
SMILESCOc1ccccc1CNc1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C17H16N2O3/c1-19-16(20)13-8-7-12(9-14(13)17(19)21)18-10-11-5-3-4-6-15(11)22-2/h3-9,18H,10H2,1-2H3
InChIKeyBEWFVMBMXSGAPW-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.53
Rot. Bonds4

About 5-[(2-methoxyphenyl)methylamino]-2-methylisoindole-1,3-dione

5-[(2-methoxyphenyl)methylamino]-2-methylisoindole-1,3-dione (PubChem CID 43823713) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-[(2-methoxyphenyl)methylamino]-2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name5-[(2-methoxyphenyl)methylamino]-2-methylisoindole-1,3-dione
PubChem CID43823713
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name5-[(2-methoxyphenyl)methylamino]-2-methylisoindole-1,3-dione
SMILESCOc1ccccc1CNc1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C17H16N2O3/c1-19-16(20)13-8-7-12(9-14(13)17(19)21)18-10-11-5-3-4-6-15(11)22-2/h3-9,18H,10H2,1-2H3
InChIKeyBEWFVMBMXSGAPW-UHFFFAOYSA-N
XLogP2.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[(2-methoxyphenyl)methylamino]-2-methylisoindole-1,3-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

2-methyl-5-[(4-methylphenyl)methylamino]isoindole-1,3-dione
CID 10755204
5-(3-methoxypropylamino)-2-methylisoindole-1,3-dione
CID 54936023
2-chloro-4-[(2-methoxyphenyl)methylamino]phenol
CID 107678386
[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 32744629
2-(3,4-dimethoxyphenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 16913183
2-(2-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 26906999
5-(butylamino)-2-methylisoindole-1,3-dione
CID 14911570
2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]acetic acid
CID 28897269
2-(4,6-dimethylpyrimidin-2-yl)-4-[(2-methoxyphenyl)methylamino]benzenesulfonamide
CID 141094870
3-ethoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 54800907
N-[(2-methoxyphenyl)methyl]-3-methylaniline;oxalic acid
CID 90483636
N-[(2-methoxyphenyl)methyl]-1-benzothiophen-5-amine
CID 43687708

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenyl)methylamino]-2-methylisoindole-1,3-dione?
The IUPAC name of 5-[(2-methoxyphenyl)methylamino]-2-methylisoindole-1,3-dione (CID 43823713) is 5-[(2-methoxyphenyl)methylamino]-2-methylisoindole-1,3-dione.
What is the SMILES notation for 5-[(2-methoxyphenyl)methylamino]-2-methylisoindole-1,3-dione?
The canonical SMILES for 5-[(2-methoxyphenyl)methylamino]-2-methylisoindole-1,3-dione is COc1ccccc1CNc1ccc2c(c1)C(=O)N(C)C2=O.
What is the InChIKey of 5-[(2-methoxyphenyl)methylamino]-2-methylisoindole-1,3-dione?
The InChIKey is BEWFVMBMXSGAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-19-16(20)13-8-7-12(9-14(13)17(19)21)18-10-11-5-3-4-6-15(11)22-2/h3-9,18H,10H2,1-2H3.
What are the key properties of 5-[(2-methoxyphenyl)methylamino]-2-methylisoindole-1,3-dione?
5-[(2-methoxyphenyl)methylamino]-2-methylisoindole-1,3-dione has a molecular weight of 296.33 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenyl)methylamino]-2-methylisoindole-1,3-dione is sourced from PubChem (CID 43823713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).