tert-butyl 3-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]propanoate

C19H25NO6 — CID 134839808

About tert-butyl 3-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]propanoate

tert-butyl 3-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]propanoate (PubChem CID 134839808) has the molecular formula C19H25NO6 and a molecular weight of 363.41 g/mol. Its IUPAC name is tert-butyl 3-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]propanoate.

Molecular Properties

• Compound Name: tert-butyl 3-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]propanoate
• PubChem CID: 134839808
• Molecular Formula: C19H25NO6
• Molecular Weight: 363.41 g/mol
• Exact Mass: 363.17
• IUPAC Name: tert-butyl 3-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]propanoate
• SMILES: CC(C)(C)OC(=O)CCOCCOCCN1C(=O)c2ccccc2C1=O
• InChI: InChI=1S/C19H25NO6/c1-19(2,3)26-16(21)8-10-24-12-13-25-11-9-20-17(22)14-6-4-5-7-15(14)18(20)23/h4-7H,8-13H2,1-3H3
• InChIKey: AMIDMGDPLKQYMY-UHFFFAOYSA-N
• XLogP: 2.05
• TPSA: 82.14 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.41
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]propanoate?

The IUPAC name of tert-butyl 3-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]propanoate (CID 134839808) is tert-butyl 3-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]propanoate.

What is the SMILES notation for tert-butyl 3-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]propanoate?

The canonical SMILES for tert-butyl 3-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]propanoate is CC(C)(C)OC(=O)CCOCCOCCN1C(=O)c2ccccc2C1=O.

What is the InChIKey of tert-butyl 3-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]propanoate?

The InChIKey is AMIDMGDPLKQYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO6/c1-19(2,3)26-16(21)8-10-24-12-13-25-11-9-20-17(22)14-6-4-5-7-15(14)18(20)23/h4-7H,8-13H2,1-3H3.

What are the key properties of tert-butyl 3-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]propanoate?

tert-butyl 3-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]propanoate has a molecular weight of 363.41 g/mol, XLogP of 2.05, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]propanoate is sourced from PubChem (CID 134839808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).