bis[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium

C24H26N3O4+ — CID 10767691

IUPACbis[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium
SMILESC[N+](C)(CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H26N3O4/c1-27(2,15-7-13-25-21(28)17-9-3-4-10-18(17)22(25)29)16-8-14-26-23(30)19-11-5-6-12-20(19)24(26)31/h3-6,9-12H,7-8,13-16H2,1-2H3/q+1
InChIKeyWZSFQQFIWVDJHH-UHFFFAOYSA-N
MW420.49 g/mol
LogP2.44
Rot. Bonds8

About bis[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium

bis[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium (PubChem CID 10767691) has the molecular formula C24H26N3O4+ and a molecular weight of 420.49 g/mol. Its IUPAC name is bis[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium.

Molecular Properties

Compound Namebis[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium
PubChem CID10767691
Molecular FormulaC24H26N3O4+
Molecular Weight420.49 g/mol
Exact Mass420.19
IUPAC Namebis[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium
SMILESC[N+](C)(CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H26N3O4/c1-27(2,15-7-13-25-21(28)17-9-3-4-10-18(17)22(25)29)16-8-14-26-23(30)19-11-5-6-12-20(19)24(26)31/h3-6,9-12H,7-8,13-16H2,1-2H3/q+1
InChIKeyWZSFQQFIWVDJHH-UHFFFAOYSA-N
XLogP2.44
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium?
The IUPAC name of bis[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium (CID 10767691) is bis[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium.
What is the SMILES notation for bis[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium?
The canonical SMILES for bis[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium is C[N+](C)(CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of bis[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium?
The InChIKey is WZSFQQFIWVDJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N3O4/c1-27(2,15-7-13-25-21(28)17-9-3-4-10-18(17)22(25)29)16-8-14-26-23(30)19-11-5-6-12-20(19)24(26)31/h3-6,9-12H,7-8,13-16H2,1-2H3/q+1.
What are the key properties of bis[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium?
bis[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium has a molecular weight of 420.49 g/mol, XLogP of 2.44, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[3-(1,3-dioxoisoindol-2-yl)propyl]-dimethylazanium is sourced from PubChem (CID 10767691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).