N-(10-aminodecyl)-N-chloro-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide

C25H33ClN4O6 — CID 163405693

About N-(10-aminodecyl)-N-chloro-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide

N-(10-aminodecyl)-N-chloro-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide (PubChem CID 163405693) has the molecular formula C25H33ClN4O6 and a molecular weight of 521.01 g/mol. Its IUPAC name is N-(10-aminodecyl)-N-chloro-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide.

Molecular Properties

• Compound Name: N-(10-aminodecyl)-N-chloro-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide
• PubChem CID: 163405693
• Molecular Formula: C25H33ClN4O6
• Molecular Weight: 521.01 g/mol
• Exact Mass: 520.21
• IUPAC Name: N-(10-aminodecyl)-N-chloro-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide
• SMILES: NCCCCCCCCCCN(Cl)C(=O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C25H33ClN4O6/c26-29(15-8-6-4-2-1-3-5-7-14-27)21(32)16-36-19-11-9-10-17-22(19)25(35)30(24(17)34)18-12-13-20(31)28-23(18)33/h9-11,18H,1-8,12-16,27H2,(H,28,31,33)
• InChIKey: HFDPZCDWTGMPEW-UHFFFAOYSA-N
• XLogP: 2.53
• TPSA: 139.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.01
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(10-aminodecyl)-N-chloro-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide?

The IUPAC name of N-(10-aminodecyl)-N-chloro-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide (CID 163405693) is N-(10-aminodecyl)-N-chloro-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide.

What is the SMILES notation for N-(10-aminodecyl)-N-chloro-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide?

The canonical SMILES for N-(10-aminodecyl)-N-chloro-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide is NCCCCCCCCCCN(Cl)C(=O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of N-(10-aminodecyl)-N-chloro-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide?

The InChIKey is HFDPZCDWTGMPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClN4O6/c26-29(15-8-6-4-2-1-3-5-7-14-27)21(32)16-36-19-11-9-10-17-22(19)25(35)30(24(17)34)18-12-13-20(31)28-23(18)33/h9-11,18H,1-8,12-16,27H2,(H,28,31,33).

What are the key properties of N-(10-aminodecyl)-N-chloro-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide?

N-(10-aminodecyl)-N-chloro-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide has a molecular weight of 521.01 g/mol, XLogP of 2.53, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(10-aminodecyl)-N-chloro-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide is sourced from PubChem (CID 163405693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).