2-[2-(6-azidohexoxy)ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide

C23H28N6O7 — CID 163335680

IUPAC2-[2-(6-azidohexoxy)ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
SMILES[N-]=[N+]=NCCCCCCOCCOCC(=O)Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C23H28N6O7/c24-28-25-10-3-1-2-4-11-35-12-13-36-14-19(31)26-16-7-5-6-15-20(16)23(34)29(22(15)33)17-8-9-18(30)27-21(17)32/h5-7,17H,1-4,8-14H2,(H,26,31)(H,27,30,32)
InChIKeyUTTOXUMFMWDKPS-UHFFFAOYSA-N
MW500.51 g/mol
LogP1.93
Rot. Bonds14

About 2-[2-(6-azidohexoxy)ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide

2-[2-(6-azidohexoxy)ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide (PubChem CID 163335680) has the molecular formula C23H28N6O7 and a molecular weight of 500.51 g/mol. Its IUPAC name is 2-[2-(6-azidohexoxy)ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide.

Molecular Properties

Compound Name2-[2-(6-azidohexoxy)ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
PubChem CID163335680
Molecular FormulaC23H28N6O7
Molecular Weight500.51 g/mol
Exact Mass500.20
IUPAC Name2-[2-(6-azidohexoxy)ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
SMILES[N-]=[N+]=NCCCCCCOCCOCC(=O)Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C23H28N6O7/c24-28-25-10-3-1-2-4-11-35-12-13-36-14-19(31)26-16-7-5-6-15-20(16)23(34)29(22(15)33)17-8-9-18(30)27-21(17)32/h5-7,17H,1-4,8-14H2,(H,26,31)(H,27,30,32)
InChIKeyUTTOXUMFMWDKPS-UHFFFAOYSA-N
XLogP1.93
TPSA179.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.51
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-azidohexoxy)ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide?
The IUPAC name of 2-[2-(6-azidohexoxy)ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide (CID 163335680) is 2-[2-(6-azidohexoxy)ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide.
What is the SMILES notation for 2-[2-(6-azidohexoxy)ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide?
The canonical SMILES for 2-[2-(6-azidohexoxy)ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide is [N-]=[N+]=NCCCCCCOCCOCC(=O)Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 2-[2-(6-azidohexoxy)ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide?
The InChIKey is UTTOXUMFMWDKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O7/c24-28-25-10-3-1-2-4-11-35-12-13-36-14-19(31)26-16-7-5-6-15-20(16)23(34)29(22(15)33)17-8-9-18(30)27-21(17)32/h5-7,17H,1-4,8-14H2,(H,26,31)(H,27,30,32).
What are the key properties of 2-[2-(6-azidohexoxy)ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide?
2-[2-(6-azidohexoxy)ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide has a molecular weight of 500.51 g/mol, XLogP of 1.93, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-azidohexoxy)ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide is sourced from PubChem (CID 163335680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).