2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl N-(1-amino-3-tricyclo[3.3.1.03,7]nonanyl)carbamate

C27H33N5O7 — CID 174307190

About 2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl N-(1-amino-3-tricyclo[3.3.1.03,7]nonanyl)carbamate

2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl N-(1-amino-3-tricyclo[3.3.1.03,7]nonanyl)carbamate (PubChem CID 174307190) has the molecular formula C27H33N5O7 and a molecular weight of 539.59 g/mol. Its IUPAC name is 2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl N-(1-amino-3-tricyclo[3.3.1.03,7]nonanyl)carbamate.

Molecular Properties

• Compound Name: 2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl N-(1-amino-3-tricyclo[3.3.1.03,7]nonanyl)carbamate
• PubChem CID: 174307190
• Molecular Formula: C27H33N5O7
• Molecular Weight: 539.59 g/mol
• Exact Mass: 539.24
• IUPAC Name: 2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl N-(1-amino-3-tricyclo[3.3.1.03,7]nonanyl)carbamate
• SMILES: NC12CC3CC(C1)C(NC(=O)OCCOCCNc1cccc4c1C(=O)N(C1CCC(=O)NC1=O)C4=O)(C3)C2
• InChI: InChI=1S/C27H33N5O7/c28-26-11-15-10-16(13-26)27(12-15,14-26)31-25(37)39-9-8-38-7-6-29-18-3-1-2-17-21(18)24(36)32(23(17)35)19-4-5-20(33)30-22(19)34/h1-3,15-16,19,29H,4-14,28H2,(H,31,37)(H,30,33,34)
• InChIKey: GLQZTCHLKAPROC-UHFFFAOYSA-N
• XLogP: 0.90
• TPSA: 169.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.59
LogP ≤ 5	0.90
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

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-amino-3-tricyclo[3.3.1.03,7]nonanyl)carbamate?

The IUPAC name of 2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl N-(1-amino-3-tricyclo[3.3.1.03,7]nonanyl)carbamate (CID 174307190) is 2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl N-(1-amino-3-tricyclo[3.3.1.03,7]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-amino-3-tricyclo[3.3.1.03,7]nonanyl)carbamate?

The canonical SMILES for 2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl N-(1-amino-3-tricyclo[3.3.1.03,7]nonanyl)carbamate is NC12CC3CC(C1)C(NC(=O)OCCOCCNc1cccc4c1C(=O)N(C1CCC(=O)NC1=O)C4=O)(C3)C2.

What is the InChIKey of 2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl N-(1-amino-3-tricyclo[3.3.1.03,7]nonanyl)carbamate?

The InChIKey is GLQZTCHLKAPROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O7/c28-26-11-15-10-16(13-26)27(12-15,14-26)31-25(37)39-9-8-38-7-6-29-18-3-1-2-17-21(18)24(36)32(23(17)35)19-4-5-20(33)30-22(19)34/h1-3,15-16,19,29H,4-14,28H2,(H,31,37)(H,30,33,34).

What are the key properties of 2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl N-(1-amino-3-tricyclo[3.3.1.03,7]nonanyl)carbamate?

2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl N-(1-amino-3-tricyclo[3.3.1.03,7]nonanyl)carbamate has a molecular weight of 539.59 g/mol, XLogP of 0.90, 9 rotatable bonds, 4 hydrogen bond donors, and 9 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-amino-3-tricyclo[3.3.1.03,7]nonanyl)carbamate is sourced from PubChem (CID 174307190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).