tert-butyl 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxymethyl]-3-[[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-3-oxopropoxy]methyl]azetidine-1-carboxylate

C32H47N5O10 — CID 162489648

About tert-butyl 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxymethyl]-3-[[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-3-oxopropoxy]methyl]azetidine-1-carboxylate

tert-butyl 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxymethyl]-3-[[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-3-oxopropoxy]methyl]azetidine-1-carboxylate (PubChem CID 162489648) has the molecular formula C32H47N5O10 and a molecular weight of 661.75 g/mol. Its IUPAC name is tert-butyl 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxymethyl]-3-[[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-3-oxopropoxy]methyl]azetidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxymethyl]-3-[[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-3-oxopropoxy]methyl]azetidine-1-carboxylate
• PubChem CID: 162489648
• Molecular Formula: C32H47N5O10
• Molecular Weight: 661.75 g/mol
• Exact Mass: 661.33
• IUPAC Name: tert-butyl 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxymethyl]-3-[[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-3-oxopropoxy]methyl]azetidine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CC(COCCOCCOCCN)(COCCC(=O)Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)C1
• InChI: InChI=1S/C32H47N5O10/c1-31(2,3)47-30(42)36-18-32(19-36,21-46-16-15-44-14-13-43-12-10-33)20-45-11-9-27(39)34-24-6-4-5-22-23(24)17-37(29(22)41)25-7-8-26(38)35-28(25)40/h4-6,25H,7-21,33H2,1-3H3,(H,34,39)(H,35,38,40)
• InChIKey: FOUUZYTYZRRARO-UHFFFAOYSA-N
• XLogP: 1.04
• TPSA: 188.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 17
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	661.75
LogP ≤ 5	1.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

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 tert-butyl 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxymethyl]-3-[[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-3-oxopropoxy]methyl]azetidine-1-carboxylate?

The IUPAC name of tert-butyl 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxymethyl]-3-[[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-3-oxopropoxy]methyl]azetidine-1-carboxylate (CID 162489648) is tert-butyl 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxymethyl]-3-[[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-3-oxopropoxy]methyl]azetidine-1-carboxylate.

What is the SMILES notation for tert-butyl 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxymethyl]-3-[[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-3-oxopropoxy]methyl]azetidine-1-carboxylate?

The canonical SMILES for tert-butyl 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxymethyl]-3-[[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-3-oxopropoxy]methyl]azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(COCCOCCOCCN)(COCCC(=O)Nc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)C1.

What is the InChIKey of tert-butyl 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxymethyl]-3-[[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-3-oxopropoxy]methyl]azetidine-1-carboxylate?

The InChIKey is FOUUZYTYZRRARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H47N5O10/c1-31(2,3)47-30(42)36-18-32(19-36,21-46-16-15-44-14-13-43-12-10-33)20-45-11-9-27(39)34-24-6-4-5-22-23(24)17-37(29(22)41)25-7-8-26(38)35-28(25)40/h4-6,25H,7-21,33H2,1-3H3,(H,34,39)(H,35,38,40).

What are the key properties of tert-butyl 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxymethyl]-3-[[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-3-oxopropoxy]methyl]azetidine-1-carboxylate?

tert-butyl 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxymethyl]-3-[[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-3-oxopropoxy]methyl]azetidine-1-carboxylate has a molecular weight of 661.75 g/mol, XLogP of 1.04, 17 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxymethyl]-3-[[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-3-oxopropoxy]methyl]azetidine-1-carboxylate is sourced from PubChem (CID 162489648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).