tert-butyl N-[1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-methylbutan-2-yl]oxy-2-methylbutan-2-yl]carbamate

C28H40N4O7 — CID 163393028

About tert-butyl N-[1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-methylbutan-2-yl]oxy-2-methylbutan-2-yl]carbamate

tert-butyl N-[1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-methylbutan-2-yl]oxy-2-methylbutan-2-yl]carbamate (PubChem CID 163393028) has the molecular formula C28H40N4O7 and a molecular weight of 544.65 g/mol. Its IUPAC name is tert-butyl N-[1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-methylbutan-2-yl]oxy-2-methylbutan-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-methylbutan-2-yl]oxy-2-methylbutan-2-yl]carbamate
• PubChem CID: 163393028
• Molecular Formula: C28H40N4O7
• Molecular Weight: 544.65 g/mol
• Exact Mass: 544.29
• IUPAC Name: tert-butyl N-[1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-methylbutan-2-yl]oxy-2-methylbutan-2-yl]carbamate
• SMILES: CCC(C)(COC(C)(C)CCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)NC(=O)OC(C)(C)C
• InChI: InChI=1S/C28H40N4O7/c1-8-28(7,31-25(37)39-26(2,3)4)16-38-27(5,6)14-15-29-18-11-9-10-17-21(18)24(36)32(23(17)35)19-12-13-20(33)30-22(19)34/h9-11,19,29H,8,12-16H2,1-7H3,(H,31,37)(H,30,33,34)
• InChIKey: MUHJZNRRHPRSPO-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 143.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.65
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-methylbutan-2-yl]oxy-2-methylbutan-2-yl]carbamate?

The IUPAC name of tert-butyl N-[1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-methylbutan-2-yl]oxy-2-methylbutan-2-yl]carbamate (CID 163393028) is tert-butyl N-[1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-methylbutan-2-yl]oxy-2-methylbutan-2-yl]carbamate.

What is the SMILES notation for tert-butyl N-[1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-methylbutan-2-yl]oxy-2-methylbutan-2-yl]carbamate?

The canonical SMILES for tert-butyl N-[1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-methylbutan-2-yl]oxy-2-methylbutan-2-yl]carbamate is CCC(C)(COC(C)(C)CCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)NC(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl N-[1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-methylbutan-2-yl]oxy-2-methylbutan-2-yl]carbamate?

The InChIKey is MUHJZNRRHPRSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N4O7/c1-8-28(7,31-25(37)39-26(2,3)4)16-38-27(5,6)14-15-29-18-11-9-10-17-21(18)24(36)32(23(17)35)19-12-13-20(33)30-22(19)34/h9-11,19,29H,8,12-16H2,1-7H3,(H,31,37)(H,30,33,34).

What are the key properties of tert-butyl N-[1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-methylbutan-2-yl]oxy-2-methylbutan-2-yl]carbamate?

tert-butyl N-[1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-methylbutan-2-yl]oxy-2-methylbutan-2-yl]carbamate has a molecular weight of 544.65 g/mol, XLogP of 3.38, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-2-methylbutan-2-yl]oxy-2-methylbutan-2-yl]carbamate is sourced from PubChem (CID 163393028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).