3-[2-(2-azidoethoxy)ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanamide

C20H24N6O6 — CID 155292305

About 3-[2-(2-azidoethoxy)ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanamide

3-[2-(2-azidoethoxy)ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanamide (PubChem CID 155292305) has the molecular formula C20H24N6O6 and a molecular weight of 444.45 g/mol. Its IUPAC name is 3-[2-(2-azidoethoxy)ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanamide.

Molecular Properties

• Compound Name: 3-[2-(2-azidoethoxy)ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanamide
• PubChem CID: 155292305
• Molecular Formula: C20H24N6O6
• Molecular Weight: 444.45 g/mol
• Exact Mass: 444.18
• IUPAC Name: 3-[2-(2-azidoethoxy)ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanamide
• SMILES: [N-]=[N+]=NCCOCCOCCC(=O)Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C20H24N6O6/c21-25-22-7-9-32-11-10-31-8-6-18(28)23-15-3-1-2-13-14(15)12-26(20(13)30)16-4-5-17(27)24-19(16)29/h1-3,16H,4-12H2,(H,23,28)(H,24,27,29)
• InChIKey: CITBEQJSZBIQAQ-UHFFFAOYSA-N
• XLogP: 1.12
• TPSA: 162.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.45
LogP ≤ 5	1.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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 3-[2-(2-azidoethoxy)ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanamide?

The IUPAC name of 3-[2-(2-azidoethoxy)ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanamide (CID 155292305) is 3-[2-(2-azidoethoxy)ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanamide.

What is the SMILES notation for 3-[2-(2-azidoethoxy)ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanamide?

The canonical SMILES for 3-[2-(2-azidoethoxy)ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanamide is [N-]=[N+]=NCCOCCOCCC(=O)Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of 3-[2-(2-azidoethoxy)ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanamide?

The InChIKey is CITBEQJSZBIQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O6/c21-25-22-7-9-32-11-10-31-8-6-18(28)23-15-3-1-2-13-14(15)12-26(20(13)30)16-4-5-17(27)24-19(16)29/h1-3,16H,4-12H2,(H,23,28)(H,24,27,29).

What are the key properties of 3-[2-(2-azidoethoxy)ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanamide?

3-[2-(2-azidoethoxy)ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanamide has a molecular weight of 444.45 g/mol, XLogP of 1.12, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(2-azidoethoxy)ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]propanamide is sourced from PubChem (CID 155292305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).