tert-butyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methylamino]-2,2,4-trimethylpentanoate

C26H35N3O6 — CID 171627637

IUPACtert-butyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methylamino]-2,2,4-trimethylpentanoate
SMILESCC(C)(CC(C)(C)C(=O)OC(C)(C)C)NCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C26H35N3O6/c1-24(2,3)35-23(34)25(4,5)14-26(6,7)27-13-15-9-8-10-16-19(15)22(33)29(21(16)32)17-11-12-18(30)28-20(17)31/h8-10,17,27H,11-14H2,1-7H3,(H,28,30,31)
InChIKeyFEXOAAMJDZVZIM-UHFFFAOYSA-N
MW485.58 g/mol
LogP2.71
Rot. Bonds7

About tert-butyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methylamino]-2,2,4-trimethylpentanoate

tert-butyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methylamino]-2,2,4-trimethylpentanoate (PubChem CID 171627637) has the molecular formula C26H35N3O6 and a molecular weight of 485.58 g/mol. Its IUPAC name is tert-butyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methylamino]-2,2,4-trimethylpentanoate.

Molecular Properties

Compound Nametert-butyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methylamino]-2,2,4-trimethylpentanoate
PubChem CID171627637
Molecular FormulaC26H35N3O6
Molecular Weight485.58 g/mol
Exact Mass485.25
IUPAC Nametert-butyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methylamino]-2,2,4-trimethylpentanoate
SMILESCC(C)(CC(C)(C)C(=O)OC(C)(C)C)NCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C26H35N3O6/c1-24(2,3)35-23(34)25(4,5)14-26(6,7)27-13-15-9-8-10-16-19(15)22(33)29(21(16)32)17-11-12-18(30)28-20(17)31/h8-10,17,27H,11-14H2,1-7H3,(H,28,30,31)
InChIKeyFEXOAAMJDZVZIM-UHFFFAOYSA-N
XLogP2.71
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.58
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methylamino]-2-oxoethyl] acetate
CID 10134793
N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]cyclopropanecarboxamide
CID 10155135
tert-butyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]piperidine-1-carboxylate
CID 162482506
tert-butyl N-[1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]piperidin-4-yl]-N-methylcarbamate
CID 146598676
tert-butyl 4-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]butanoate
CID 157246096
N-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]-2-naphthalen-1-ylacetamide
CID 58307176
3-tert-butyl-1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methyl]-1-methylurea
CID 24895898
tert-butyl N-[3-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]propyl]-N-methylcarbamate
CID 146598924
4-[[4-[(1S)-1-aminoethyl]anilino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167742268
1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propan-2-yl N-methylcarbamate
CID 175085961
4-(chloromethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 168870811
tert-butyl N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]carbamate
CID 138467204

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methylamino]-2,2,4-trimethylpentanoate?
The IUPAC name of tert-butyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methylamino]-2,2,4-trimethylpentanoate (CID 171627637) is tert-butyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methylamino]-2,2,4-trimethylpentanoate.
What is the SMILES notation for tert-butyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methylamino]-2,2,4-trimethylpentanoate?
The canonical SMILES for tert-butyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methylamino]-2,2,4-trimethylpentanoate is CC(C)(CC(C)(C)C(=O)OC(C)(C)C)NCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of tert-butyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methylamino]-2,2,4-trimethylpentanoate?
The InChIKey is FEXOAAMJDZVZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O6/c1-24(2,3)35-23(34)25(4,5)14-26(6,7)27-13-15-9-8-10-16-19(15)22(33)29(21(16)32)17-11-12-18(30)28-20(17)31/h8-10,17,27H,11-14H2,1-7H3,(H,28,30,31).
What are the key properties of tert-butyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methylamino]-2,2,4-trimethylpentanoate?
tert-butyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methylamino]-2,2,4-trimethylpentanoate has a molecular weight of 485.58 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]methylamino]-2,2,4-trimethylpentanoate is sourced from PubChem (CID 171627637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).