tert-butyl-[2-[2-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-7-yl]propoxy]ethoxy]ethyl]carbamic acid

C24H33N3O8 — CID 138695486

About tert-butyl-[2-[2-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-7-yl]propoxy]ethoxy]ethyl]carbamic acid

tert-butyl-[2-[2-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-7-yl]propoxy]ethoxy]ethyl]carbamic acid (PubChem CID 138695486) has the molecular formula C24H33N3O8 and a molecular weight of 491.54 g/mol. Its IUPAC name is tert-butyl-[2-[2-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-7-yl]propoxy]ethoxy]ethyl]carbamic acid.

Molecular Properties

• Compound Name: tert-butyl-[2-[2-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-7-yl]propoxy]ethoxy]ethyl]carbamic acid
• PubChem CID: 138695486
• Molecular Formula: C24H33N3O8
• Molecular Weight: 491.54 g/mol
• Exact Mass: 491.23
• IUPAC Name: tert-butyl-[2-[2-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-7-yl]propoxy]ethoxy]ethyl]carbamic acid
• SMILES: CC(C)(C)N(CCOCCOCCCc1cccc2c1oc(=O)n2C1CCC(=O)NC1=O)C(=O)O
• InChI: InChI=1S/C24H33N3O8/c1-24(2,3)26(22(30)31)11-13-34-15-14-33-12-5-7-16-6-4-8-17-20(16)35-23(32)27(17)18-9-10-19(28)25-21(18)29/h4,6,8,18H,5,7,9-15H2,1-3H3,(H,30,31)(H,25,28,29)
• InChIKey: WNEXXMVDQTWUPG-UHFFFAOYSA-N
• XLogP: 2.32
• TPSA: 140.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.54
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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-[2-[2-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-7-yl]propoxy]ethoxy]ethyl]carbamic acid?

The IUPAC name of tert-butyl-[2-[2-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-7-yl]propoxy]ethoxy]ethyl]carbamic acid (CID 138695486) is tert-butyl-[2-[2-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-7-yl]propoxy]ethoxy]ethyl]carbamic acid.

What is the SMILES notation for tert-butyl-[2-[2-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-7-yl]propoxy]ethoxy]ethyl]carbamic acid?

The canonical SMILES for tert-butyl-[2-[2-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-7-yl]propoxy]ethoxy]ethyl]carbamic acid is CC(C)(C)N(CCOCCOCCCc1cccc2c1oc(=O)n2C1CCC(=O)NC1=O)C(=O)O.

What is the InChIKey of tert-butyl-[2-[2-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-7-yl]propoxy]ethoxy]ethyl]carbamic acid?

The InChIKey is WNEXXMVDQTWUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O8/c1-24(2,3)26(22(30)31)11-13-34-15-14-33-12-5-7-16-6-4-8-17-20(16)35-23(32)27(17)18-9-10-19(28)25-21(18)29/h4,6,8,18H,5,7,9-15H2,1-3H3,(H,30,31)(H,25,28,29).

What are the key properties of tert-butyl-[2-[2-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-7-yl]propoxy]ethoxy]ethyl]carbamic acid?

tert-butyl-[2-[2-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-7-yl]propoxy]ethoxy]ethyl]carbamic acid has a molecular weight of 491.54 g/mol, XLogP of 2.32, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[2-[2-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-7-yl]propoxy]ethoxy]ethyl]carbamic acid is sourced from PubChem (CID 138695486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).