2-[3-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]propyl]isoindole-1,3-dione

C23H23N3O4 — CID 1107351

IUPAC2-[3-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]propyl]isoindole-1,3-dione
SMILESCN(CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H23N3O4/c1-24(12-6-14-25-20(27)16-8-2-3-9-17(16)21(25)28)13-7-15-26-22(29)18-10-4-5-11-19(18)23(26)30/h2-5,8-11H,6-7,12-15H2,1H3
InChIKeyHHGSSKUYZADXFL-UHFFFAOYSA-N
MW405.45 g/mol
LogP2.29
Rot. Bonds8

About 2-[3-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]propyl]isoindole-1,3-dione

2-[3-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]propyl]isoindole-1,3-dione (PubChem CID 1107351) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is 2-[3-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]propyl]isoindole-1,3-dione
PubChem CID1107351
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name2-[3-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]propyl]isoindole-1,3-dione
SMILESCN(CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H23N3O4/c1-24(12-6-14-25-20(27)16-8-2-3-9-17(16)21(25)28)13-7-15-26-22(29)18-10-4-5-11-19(18)23(26)30/h2-5,8-11H,6-7,12-15H2,1H3
InChIKeyHHGSSKUYZADXFL-UHFFFAOYSA-N
XLogP2.29
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[3-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]propyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]propyl]isoindole-1,3-dione (CID 1107351) is 2-[3-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]propyl]isoindole-1,3-dione is CN(CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[3-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]propyl]isoindole-1,3-dione?
The InChIKey is HHGSSKUYZADXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-24(12-6-14-25-20(27)16-8-2-3-9-17(16)21(25)28)13-7-15-26-22(29)18-10-4-5-11-19(18)23(26)30/h2-5,8-11H,6-7,12-15H2,1H3.
What are the key properties of 2-[3-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]propyl]isoindole-1,3-dione?
2-[3-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]propyl]isoindole-1,3-dione has a molecular weight of 405.45 g/mol, XLogP of 2.29, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]propyl]isoindole-1,3-dione is sourced from PubChem (CID 1107351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).