2-[2-[tert-butyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]amino]ethyl]isoindole-1,3-dione

C24H25N3O4 — CID 175771620

IUPAC2-[2-[tert-butyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]amino]ethyl]isoindole-1,3-dione
SMILESCC(C)(C)N(CCN1C(=O)c2ccccc2C1=O)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H25N3O4/c1-24(2,3)25(12-14-26-20(28)16-8-4-5-9-17(16)21(26)29)13-15-27-22(30)18-10-6-7-11-19(18)23(27)31/h4-11H,12-15H2,1-3H3
InChIKeyPLTODIKTJQHVIW-UHFFFAOYSA-N
MW419.48 g/mol
LogP2.68
Rot. Bonds6

About 2-[2-[tert-butyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]amino]ethyl]isoindole-1,3-dione

2-[2-[tert-butyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]amino]ethyl]isoindole-1,3-dione (PubChem CID 175771620) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is 2-[2-[tert-butyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]amino]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[tert-butyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]amino]ethyl]isoindole-1,3-dione
PubChem CID175771620
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name2-[2-[tert-butyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]amino]ethyl]isoindole-1,3-dione
SMILESCC(C)(C)N(CCN1C(=O)c2ccccc2C1=O)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H25N3O4/c1-24(2,3)25(12-14-26-20(28)16-8-4-5-9-17(16)21(26)29)13-15-27-22(30)18-10-6-7-11-19(18)23(27)31/h4-11H,12-15H2,1-3H3
InChIKeyPLTODIKTJQHVIW-UHFFFAOYSA-N
XLogP2.68
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]ethyl-methylamino]ethyl-methylamino]ethyl]isoindole-1,3-dione
CID 166009337
2-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]-2-methylpropanoic acid
CID 62822311
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
hydron;2-propylisoindole-1,3-dione
CID 174827386
tert-butyl 2-[2-(1,3-dioxoisoindol-2-yl)ethyl-methylamino]acetate
CID 134509436
2-[7-(dimethylamino)heptyl]isoindole-1,3-dione
CID 139959528
2-[2-(dioctylamino)ethyl]isoindole-1,3-dione
CID 170273237
3-(1,3-dioxoisoindol-2-yl)propan-1-olate
CID 140721734
methyl N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-methylcarbamate
CID 170984962
2-[3-[bis(trideuteriomethyl)amino]propyl]isoindole-1,3-dione
CID 89296361
2-[2-[methyl(pyridin-4-ylmethyl)amino]ethyl]isoindole-1,3-dione
CID 69293402
2-(2-hydroxy-2-methylpropyl)isoindole-1,3-dione
CID 15205735

Frequently Asked Questions

What is the IUPAC name of 2-[2-[tert-butyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]amino]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[tert-butyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]amino]ethyl]isoindole-1,3-dione (CID 175771620) is 2-[2-[tert-butyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]amino]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[tert-butyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]amino]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[tert-butyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]amino]ethyl]isoindole-1,3-dione is CC(C)(C)N(CCN1C(=O)c2ccccc2C1=O)CCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[2-[tert-butyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]amino]ethyl]isoindole-1,3-dione?
The InChIKey is PLTODIKTJQHVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-24(2,3)25(12-14-26-20(28)16-8-4-5-9-17(16)21(26)29)13-15-27-22(30)18-10-6-7-11-19(18)23(27)31/h4-11H,12-15H2,1-3H3.
What are the key properties of 2-[2-[tert-butyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]amino]ethyl]isoindole-1,3-dione?
2-[2-[tert-butyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]amino]ethyl]isoindole-1,3-dione has a molecular weight of 419.48 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[tert-butyl-[2-(1,3-dioxoisoindol-2-yl)ethyl]amino]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 175771620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).