2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl N-[1-[[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]amino]-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]carbamate

C39H47FN6O8 — CID 170605889

About 2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl N-[1-[[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]amino]-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]carbamate

2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl N-[1-[[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]amino]-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]carbamate (PubChem CID 170605889) has the molecular formula C39H47FN6O8 and a molecular weight of 746.84 g/mol. Its IUPAC name is 2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl N-[1-[[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]amino]-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]carbamate.

Molecular Properties

• Compound Name: 2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl N-[1-[[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]amino]-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]carbamate
• PubChem CID: 170605889
• Molecular Formula: C39H47FN6O8
• Molecular Weight: 746.84 g/mol
• Exact Mass: 746.34
• IUPAC Name: 2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl N-[1-[[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]amino]-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]carbamate
• SMILES: CC1CC2CC(C)(NC(=O)OCCOCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC(NCC(=O)N3Cc4ccc(F)cc4C3)(C1)C2
• InChI: InChI=1S/C39H47FN6O8/c1-23-14-24-17-38(2,22-39(16-23,18-24)42-19-32(48)45-20-25-6-7-27(40)15-26(25)21-45)44-37(52)54-13-12-53-11-10-41-29-5-3-4-28-33(29)36(51)46(35(28)50)30-8-9-31(47)43-34(30)49/h3-7,15,23-24,30,41-42H,8-14,16-22H2,1-2H3,(H,44,52)(H,43,47,49)
• InChIKey: OALVOKJKMHNOSQ-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 175.48 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	746.84
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl N-[1-[[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]amino]-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]carbamate?

The IUPAC name of 2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl N-[1-[[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]amino]-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]carbamate (CID 170605889) is 2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl N-[1-[[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]amino]-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]carbamate.

What is the SMILES notation for 2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl N-[1-[[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]amino]-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]carbamate?

The canonical SMILES for 2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl N-[1-[[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]amino]-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]carbamate is CC1CC2CC(C)(NC(=O)OCCOCCNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC(NCC(=O)N3Cc4ccc(F)cc4C3)(C1)C2.

What is the InChIKey of 2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl N-[1-[[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]amino]-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]carbamate?

The InChIKey is OALVOKJKMHNOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H47FN6O8/c1-23-14-24-17-38(2,22-39(16-23,18-24)42-19-32(48)45-20-25-6-7-27(40)15-26(25)21-45)44-37(52)54-13-12-53-11-10-41-29-5-3-4-28-33(29)36(51)46(35(28)50)30-8-9-31(47)43-34(30)49/h3-7,15,23-24,30,41-42H,8-14,16-22H2,1-2H3,(H,44,52)(H,43,47,49).

What are the key properties of 2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl N-[1-[[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]amino]-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]carbamate?

2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl N-[1-[[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]amino]-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]carbamate has a molecular weight of 746.84 g/mol, XLogP of 3.24, 12 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl N-[1-[[2-(5-fluoro-1,3-dihydroisoindol-2-yl)-2-oxoethyl]amino]-3,7-dimethyl-3-bicyclo[3.3.1]nonanyl]carbamate is sourced from PubChem (CID 170605889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).