4-[3-(1,3-dioxoisoindol-2-yl)propylamino]-2-methylisoindole-1,3-dione

C20H17N3O4 — CID 651812

IUPAC4-[3-(1,3-dioxoisoindol-2-yl)propylamino]-2-methylisoindole-1,3-dione
SMILESCN1C(=O)c2cccc(NCCCN3C(=O)c4ccccc4C3=O)c2C1=O
InChIInChI=1S/C20H17N3O4/c1-22-17(24)14-8-4-9-15(16(14)20(22)27)21-10-5-11-23-18(25)12-6-2-3-7-13(12)19(23)26/h2-4,6-9,21H,5,10-11H2,1H3
InChIKeyVDIAQKCISZOWEH-UHFFFAOYSA-N
MW363.37 g/mol
LogP2.01
Rot. Bonds5

About 4-[3-(1,3-dioxoisoindol-2-yl)propylamino]-2-methylisoindole-1,3-dione

4-[3-(1,3-dioxoisoindol-2-yl)propylamino]-2-methylisoindole-1,3-dione (PubChem CID 651812) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is 4-[3-(1,3-dioxoisoindol-2-yl)propylamino]-2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name4-[3-(1,3-dioxoisoindol-2-yl)propylamino]-2-methylisoindole-1,3-dione
PubChem CID651812
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name4-[3-(1,3-dioxoisoindol-2-yl)propylamino]-2-methylisoindole-1,3-dione
SMILESCN1C(=O)c2cccc(NCCCN3C(=O)c4ccccc4C3=O)c2C1=O
InChIInChI=1S/C20H17N3O4/c1-22-17(24)14-8-4-9-15(16(14)20(22)27)21-10-5-11-23-18(25)12-6-2-3-7-13(12)19(23)26/h2-4,6-9,21H,5,10-11H2,1H3
InChIKeyVDIAQKCISZOWEH-UHFFFAOYSA-N
XLogP2.01
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[3-(1,3-dioxoisoindol-2-yl)propylamino]-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

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,3-dioxoisoindol-2-yl)propylamino]-2-methylisoindole-1,3-dione?
The IUPAC name of 4-[3-(1,3-dioxoisoindol-2-yl)propylamino]-2-methylisoindole-1,3-dione (CID 651812) is 4-[3-(1,3-dioxoisoindol-2-yl)propylamino]-2-methylisoindole-1,3-dione.
What is the SMILES notation for 4-[3-(1,3-dioxoisoindol-2-yl)propylamino]-2-methylisoindole-1,3-dione?
The canonical SMILES for 4-[3-(1,3-dioxoisoindol-2-yl)propylamino]-2-methylisoindole-1,3-dione is CN1C(=O)c2cccc(NCCCN3C(=O)c4ccccc4C3=O)c2C1=O.
What is the InChIKey of 4-[3-(1,3-dioxoisoindol-2-yl)propylamino]-2-methylisoindole-1,3-dione?
The InChIKey is VDIAQKCISZOWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-22-17(24)14-8-4-9-15(16(14)20(22)27)21-10-5-11-23-18(25)12-6-2-3-7-13(12)19(23)26/h2-4,6-9,21H,5,10-11H2,1H3.
What are the key properties of 4-[3-(1,3-dioxoisoindol-2-yl)propylamino]-2-methylisoindole-1,3-dione?
4-[3-(1,3-dioxoisoindol-2-yl)propylamino]-2-methylisoindole-1,3-dione has a molecular weight of 363.37 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,3-dioxoisoindol-2-yl)propylamino]-2-methylisoindole-1,3-dione is sourced from PubChem (CID 651812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).