N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-carboxamide

C24H30N6O9 — CID 169451042

About N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-carboxamide

N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-carboxamide (PubChem CID 169451042) has the molecular formula C24H30N6O9 and a molecular weight of 546.54 g/mol. Its IUPAC name is N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-carboxamide
• PubChem CID: 169451042
• Molecular Formula: C24H30N6O9
• Molecular Weight: 546.54 g/mol
• Exact Mass: 546.21
• IUPAC Name: N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-carboxamide
• SMILES: [N-]=[N+]=NCCOCCOCCOCCOCCNC(=O)c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C24H30N6O9/c25-29-27-7-9-37-11-13-39-15-14-38-12-10-36-8-6-26-21(32)16-2-1-3-17-20(16)24(35)30(23(17)34)18-4-5-19(31)28-22(18)33/h1-3,18H,4-15H2,(H,26,32)(H,28,31,33)
• InChIKey: WNYACGIHHJZABP-UHFFFAOYSA-N
• XLogP: 0.19
• TPSA: 198.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 17
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.54
LogP ≤ 5	0.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-carboxamide?

The IUPAC name of N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-carboxamide (CID 169451042) is N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-carboxamide.

What is the SMILES notation for N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-carboxamide?

The canonical SMILES for N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-carboxamide is [N-]=[N+]=NCCOCCOCCOCCOCCNC(=O)c1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-carboxamide?

The InChIKey is WNYACGIHHJZABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O9/c25-29-27-7-9-37-11-13-39-15-14-38-12-10-36-8-6-26-21(32)16-2-1-3-17-20(16)24(35)30(23(17)34)18-4-5-19(31)28-22(18)33/h1-3,18H,4-15H2,(H,26,32)(H,28,31,33).

What are the key properties of N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-carboxamide?

N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-carboxamide has a molecular weight of 546.54 g/mol, XLogP of 0.19, 17 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-carboxamide is sourced from PubChem (CID 169451042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).