[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl] N-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate

C27H37N3O10 — CID 153375511

About [2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl] N-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate

[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl] N-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate (PubChem CID 153375511) has the molecular formula C27H37N3O10 and a molecular weight of 563.60 g/mol. Its IUPAC name is [2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl] N-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate.

Molecular Properties

• Compound Name: [2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl] N-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
• PubChem CID: 153375511
• Molecular Formula: C27H37N3O10
• Molecular Weight: 563.60 g/mol
• Exact Mass: 563.25
• IUPAC Name: [2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl] N-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
• SMILES: CC(C)CCOCCOCCOCCOCCNC(=O)Oc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C27H37N3O10/c1-18(2)8-10-36-12-14-38-16-17-39-15-13-37-11-9-28-27(35)40-21-5-3-4-19-23(21)26(34)30(25(19)33)20-6-7-22(31)29-24(20)32/h3-5,18,20H,6-17H2,1-2H3,(H,28,35)(H,29,31,32)
• InChIKey: BSLDLCGHNNANCB-UHFFFAOYSA-N
• XLogP: 1.29
• TPSA: 158.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 17
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	563.60
LogP ≤ 5	1.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

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-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl] N-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate?

The IUPAC name of [2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl] N-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate (CID 153375511) is [2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl] N-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate.

What is the SMILES notation for [2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl] N-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate?

The canonical SMILES for [2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl] N-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate is CC(C)CCOCCOCCOCCOCCNC(=O)Oc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.

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

The InChIKey is BSLDLCGHNNANCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O10/c1-18(2)8-10-36-12-14-38-16-17-39-15-13-37-11-9-28-27(35)40-21-5-3-4-19-23(21)26(34)30(25(19)33)20-6-7-22(31)29-24(20)32/h3-5,18,20H,6-17H2,1-2H3,(H,28,35)(H,29,31,32).

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

[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl] N-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate has a molecular weight of 563.60 g/mol, XLogP of 1.29, 17 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl] N-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 153375511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).