5-[1-(4-methoxyphenyl)ethylamino]isoindole-1,3-dione

C17H16N2O3 — CID 43826105

IUPAC5-[1-(4-methoxyphenyl)ethylamino]isoindole-1,3-dione
SMILESCOc1ccc(C(C)Nc2ccc3c(c2)C(=O)NC3=O)cc1
InChIInChI=1S/C17H16N2O3/c1-10(11-3-6-13(22-2)7-4-11)18-12-5-8-14-15(9-12)17(21)19-16(14)20/h3-10,18H,1-2H3,(H,19,20,21)
InChIKeyZGYLZRGPQHGQKF-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.75
Rot. Bonds4

About 5-[1-(4-methoxyphenyl)ethylamino]isoindole-1,3-dione

5-[1-(4-methoxyphenyl)ethylamino]isoindole-1,3-dione (PubChem CID 43826105) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-[1-(4-methoxyphenyl)ethylamino]isoindole-1,3-dione.

Molecular Properties

Compound Name5-[1-(4-methoxyphenyl)ethylamino]isoindole-1,3-dione
PubChem CID43826105
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name5-[1-(4-methoxyphenyl)ethylamino]isoindole-1,3-dione
SMILESCOc1ccc(C(C)Nc2ccc3c(c2)C(=O)NC3=O)cc1
InChIInChI=1S/C17H16N2O3/c1-10(11-3-6-13(22-2)7-4-11)18-12-5-8-14-15(9-12)17(21)19-16(14)20/h3-10,18H,1-2H3,(H,19,20,21)
InChIKeyZGYLZRGPQHGQKF-UHFFFAOYSA-N
XLogP2.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[1-(4-methoxyphenyl)ethylamino]isoindole-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

5-[1-(4-ethylphenyl)ethylamino]isoindole-1,3-dione
CID 43826007
5-[1-(2-methylphenyl)ethylamino]isoindole-1,3-dione
CID 43197044
5-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]isoindole-1,3-dione
CID 43670137
2-amino-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 66195282
2-fluoro-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 43727966
2-chloro-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 43736310
N-[1-(4-tert-butylphenyl)ethyl]-4-methoxyaniline
CID 10379104
3-[1-(4-methoxyphenyl)ethylamino]phenol
CID 43206982
3-chloro-4-ethoxy-N-[1-(4-methoxyphenyl)ethyl]aniline
CID 60943275
5-[1-(3-bromothiophen-2-yl)ethylamino]isoindole-1,3-dione
CID 43766297
2-bromo-4-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 107282164
4-methoxy-N-[(1R)-1-(4-nitrophenyl)ethyl]aniline
CID 101388869

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-methoxyphenyl)ethylamino]isoindole-1,3-dione?
The IUPAC name of 5-[1-(4-methoxyphenyl)ethylamino]isoindole-1,3-dione (CID 43826105) is 5-[1-(4-methoxyphenyl)ethylamino]isoindole-1,3-dione.
What is the SMILES notation for 5-[1-(4-methoxyphenyl)ethylamino]isoindole-1,3-dione?
The canonical SMILES for 5-[1-(4-methoxyphenyl)ethylamino]isoindole-1,3-dione is COc1ccc(C(C)Nc2ccc3c(c2)C(=O)NC3=O)cc1.
What is the InChIKey of 5-[1-(4-methoxyphenyl)ethylamino]isoindole-1,3-dione?
The InChIKey is ZGYLZRGPQHGQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-10(11-3-6-13(22-2)7-4-11)18-12-5-8-14-15(9-12)17(21)19-16(14)20/h3-10,18H,1-2H3,(H,19,20,21).
What are the key properties of 5-[1-(4-methoxyphenyl)ethylamino]isoindole-1,3-dione?
5-[1-(4-methoxyphenyl)ethylamino]isoindole-1,3-dione has a molecular weight of 296.33 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-methoxyphenyl)ethylamino]isoindole-1,3-dione is sourced from PubChem (CID 43826105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).