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

C27H38N4O7 — CID 170605946

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

tert-butyl N-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-3-methylbutoxy]-2-methylpropyl]carbamate (PubChem CID 170605946) has the molecular formula C27H38N4O7 and a molecular weight of 530.62 g/mol. Its IUPAC name is tert-butyl N-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-3-methylbutoxy]-2-methylpropyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-3-methylbutoxy]-2-methylpropyl]carbamate
• PubChem CID: 170605946
• Molecular Formula: C27H38N4O7
• Molecular Weight: 530.62 g/mol
• Exact Mass: 530.27
• IUPAC Name: tert-butyl N-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-3-methylbutoxy]-2-methylpropyl]carbamate
• SMILES: CC(C)(CCOC(C)(C)CNC(=O)OC(C)(C)C)Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C27H38N4O7/c1-25(2,3)38-24(36)28-15-27(6,7)37-14-13-26(4,5)30-17-10-8-9-16-20(17)23(35)31(22(16)34)18-11-12-19(32)29-21(18)33/h8-10,18,30H,11-15H2,1-7H3,(H,28,36)(H,29,32,33)
• InChIKey: LPWIXJXFCINQNV-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 143.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.62
LogP ≤ 5	2.99
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-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-3-methylbutoxy]-2-methylpropyl]carbamate?

The IUPAC name of tert-butyl N-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-3-methylbutoxy]-2-methylpropyl]carbamate (CID 170605946) is tert-butyl N-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-3-methylbutoxy]-2-methylpropyl]carbamate.

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

The canonical SMILES for tert-butyl N-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-3-methylbutoxy]-2-methylpropyl]carbamate is CC(C)(CCOC(C)(C)CNC(=O)OC(C)(C)C)Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.

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

The InChIKey is LPWIXJXFCINQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O7/c1-25(2,3)38-24(36)28-15-27(6,7)37-14-13-26(4,5)30-17-10-8-9-16-20(17)23(35)31(22(16)34)18-11-12-19(32)29-21(18)33/h8-10,18,30H,11-15H2,1-7H3,(H,28,36)(H,29,32,33).

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

tert-butyl N-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-3-methylbutoxy]-2-methylpropyl]carbamate has a molecular weight of 530.62 g/mol, XLogP of 2.99, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-3-methylbutoxy]-2-methylpropyl]carbamate is sourced from PubChem (CID 170605946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).