2-tert-butyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]benzamide

C25H25N3O5 — CID 142761599

IUPAC2-tert-butyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]benzamide
SMILESCC(C)(C)c1ccccc1C(=O)NCc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C25H25N3O5/c1-25(2,3)18-7-5-4-6-16(18)21(30)26-13-14-8-9-15-17(12-14)24(33)28(23(15)32)19-10-11-20(29)27-22(19)31/h4-9,12,19H,10-11,13H2,1-3H3,(H,26,30)(H,27,29,31)
InChIKeyMWKAHBKKKXWQTM-UHFFFAOYSA-N
MW447.49 g/mol
LogP2.32
Rot. Bonds4

About 2-tert-butyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]benzamide

2-tert-butyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]benzamide (PubChem CID 142761599) has the molecular formula C25H25N3O5 and a molecular weight of 447.49 g/mol. Its IUPAC name is 2-tert-butyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name2-tert-butyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]benzamide
PubChem CID142761599
Molecular FormulaC25H25N3O5
Molecular Weight447.49 g/mol
Exact Mass447.18
IUPAC Name2-tert-butyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]benzamide
SMILESCC(C)(C)c1ccccc1C(=O)NCc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C25H25N3O5/c1-25(2,3)18-7-5-4-6-16(18)21(30)26-13-14-8-9-15-17(12-14)24(33)28(23(15)32)19-10-11-20(29)27-22(19)31/h4-9,12,19H,10-11,13H2,1-3H3,(H,26,30)(H,27,29,31)
InChIKeyMWKAHBKKKXWQTM-UHFFFAOYSA-N
XLogP2.32
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]benzamide
CID 24788307
4-acetyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]benzamide
CID 71122531
5-[(2-tert-butylphenyl)sulfonylmethyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167564759
N-[(4-tert-butyl-1,2-oxazol-3-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carboxamide
CID 166426954
5-[[(4-amino-2-methylbutan-2-yl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167737722
5-[[(3-amino-2-hydroxy-2-methylpropyl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167729863
N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]propyl]-2,2-dimethylbut-3-ynamide
CID 166425439
5-[[(6-amino-2-pyridinyl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167733851
5-[[(4-amino-4-methylpentyl)amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167716317
5-[[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167716886
5-[[(3-aminophenyl)methylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167738128
2-(2,6-dioxopiperidin-3-yl)-5-[[[(3R,4R)-4-methylpyrrolidin-3-yl]amino]methyl]isoindole-1,3-dione
CID 167738444

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]benzamide?
The IUPAC name of 2-tert-butyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]benzamide (CID 142761599) is 2-tert-butyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]benzamide.
What is the SMILES notation for 2-tert-butyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]benzamide?
The canonical SMILES for 2-tert-butyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]benzamide is CC(C)(C)c1ccccc1C(=O)NCc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 2-tert-butyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]benzamide?
The InChIKey is MWKAHBKKKXWQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5/c1-25(2,3)18-7-5-4-6-16(18)21(30)26-13-14-8-9-15-17(12-14)24(33)28(23(15)32)19-10-11-20(29)27-22(19)31/h4-9,12,19H,10-11,13H2,1-3H3,(H,26,30)(H,27,29,31).
What are the key properties of 2-tert-butyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]benzamide?
2-tert-butyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]benzamide has a molecular weight of 447.49 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]benzamide is sourced from PubChem (CID 142761599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).