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

C27H36N4O10 — CID 171073073

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

2-methylpropyl N-[2-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethyl]carbamate (PubChem CID 171073073) has the molecular formula C27H36N4O10 and a molecular weight of 576.60 g/mol. Its IUPAC name is 2-methylpropyl N-[2-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethyl]carbamate.

Molecular Properties

• Compound Name: 2-methylpropyl N-[2-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethyl]carbamate
• PubChem CID: 171073073
• Molecular Formula: C27H36N4O10
• Molecular Weight: 576.60 g/mol
• Exact Mass: 576.24
• IUPAC Name: 2-methylpropyl N-[2-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethyl]carbamate
• SMILES: CC(C)COC(=O)NCCOCCOCCOCCC(=O)Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C27H36N4O10/c1-17(2)16-41-27(37)28-9-11-39-13-15-40-14-12-38-10-8-22(33)29-19-5-3-4-18-23(19)26(36)31(25(18)35)20-6-7-21(32)30-24(20)34/h3-5,17,20H,6-16H2,1-2H3,(H,28,37)(H,29,33)(H,30,32,34)
• InChIKey: DSESISYUMCHLEO-UHFFFAOYSA-N
• XLogP: 0.85
• TPSA: 178.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	576.60
LogP ≤ 5	0.85
H-Bond Donors ≤ 5	3
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-methylpropyl N-[2-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethyl]carbamate?

The IUPAC name of 2-methylpropyl N-[2-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethyl]carbamate (CID 171073073) is 2-methylpropyl N-[2-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethyl]carbamate.

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

The canonical SMILES for 2-methylpropyl N-[2-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethyl]carbamate is CC(C)COC(=O)NCCOCCOCCOCCC(=O)Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.

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

The InChIKey is DSESISYUMCHLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O10/c1-17(2)16-41-27(37)28-9-11-39-13-15-40-14-12-38-10-8-22(33)29-19-5-3-4-18-23(19)26(36)31(25(18)35)20-6-7-21(32)30-24(20)34/h3-5,17,20H,6-16H2,1-2H3,(H,28,37)(H,29,33)(H,30,32,34).

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

2-methylpropyl N-[2-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethyl]carbamate has a molecular weight of 576.60 g/mol, XLogP of 0.85, 16 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methylpropyl N-[2-[2-[2-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 171073073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).