1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pyrrole-2,5-dione;tert-butyl N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]carbamate

C25H40N4O10 — CID 162148016

About 1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pyrrole-2,5-dione;tert-butyl N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]carbamate

1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pyrrole-2,5-dione;tert-butyl N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]carbamate (PubChem CID 162148016) has the molecular formula C25H40N4O10 and a molecular weight of 556.61 g/mol. Its IUPAC name is 1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pyrrole-2,5-dione;tert-butyl N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]carbamate.

Molecular Properties

• Compound Name: 1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pyrrole-2,5-dione;tert-butyl N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]carbamate
• PubChem CID: 162148016
• Molecular Formula: C25H40N4O10
• Molecular Weight: 556.61 g/mol
• Exact Mass: 556.27
• IUPAC Name: 1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pyrrole-2,5-dione;tert-butyl N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]carbamate
• SMILES: CC(C)(C)OC(=O)NCCOCCOCCN1C(=O)C=CC1=O.NCCOCCOCCN1C(=O)C=CC1=O
• InChI: InChI=1S/C15H24N2O6.C10H16N2O4/c1-15(2,3)23-14(20)16-6-8-21-10-11-22-9-7-17-12(18)4-5-13(17)19;11-3-5-15-7-8-16-6-4-12-9(13)1-2-10(12)14/h4-5H,6-11H2,1-3H3,(H,16,20);1-2H,3-8,11H2
• InChIKey: ZKVBDHABXZOSBE-UHFFFAOYSA-N
• XLogP: -0.63
• TPSA: 176.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 17
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.61
LogP ≤ 5	-0.63
H-Bond Donors ≤ 5	2
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 1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pyrrole-2,5-dione;tert-butyl N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]carbamate?

The IUPAC name of 1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pyrrole-2,5-dione;tert-butyl N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]carbamate (CID 162148016) is 1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pyrrole-2,5-dione;tert-butyl N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]carbamate.

What is the SMILES notation for 1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pyrrole-2,5-dione;tert-butyl N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]carbamate?

The canonical SMILES for 1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pyrrole-2,5-dione;tert-butyl N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]carbamate is CC(C)(C)OC(=O)NCCOCCOCCN1C(=O)C=CC1=O.NCCOCCOCCN1C(=O)C=CC1=O.

What is the InChIKey of 1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pyrrole-2,5-dione;tert-butyl N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]carbamate?

The InChIKey is ZKVBDHABXZOSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O6.C10H16N2O4/c1-15(2,3)23-14(20)16-6-8-21-10-11-22-9-7-17-12(18)4-5-13(17)19;11-3-5-15-7-8-16-6-4-12-9(13)1-2-10(12)14/h4-5H,6-11H2,1-3H3,(H,16,20);1-2H,3-8,11H2.

What are the key properties of 1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pyrrole-2,5-dione;tert-butyl N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]carbamate?

1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pyrrole-2,5-dione;tert-butyl N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]carbamate has a molecular weight of 556.61 g/mol, XLogP of -0.63, 17 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]pyrrole-2,5-dione;tert-butyl N-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 162148016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).