2-methoxyethyl 3-[2-[[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropanoyl]amino]ethylamino]-3-oxopropanoate

C17H28N2O9 — CID 58882686

About 2-methoxyethyl 3-[2-[[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropanoyl]amino]ethylamino]-3-oxopropanoate

2-methoxyethyl 3-[2-[[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropanoyl]amino]ethylamino]-3-oxopropanoate (PubChem CID 58882686) has the molecular formula C17H28N2O9 and a molecular weight of 404.42 g/mol. Its IUPAC name is 2-methoxyethyl 3-[2-[[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropanoyl]amino]ethylamino]-3-oxopropanoate.

Molecular Properties

• Compound Name: 2-methoxyethyl 3-[2-[[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropanoyl]amino]ethylamino]-3-oxopropanoate
• PubChem CID: 58882686
• Molecular Formula: C17H28N2O9
• Molecular Weight: 404.42 g/mol
• Exact Mass: 404.18
• IUPAC Name: 2-methoxyethyl 3-[2-[[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropanoyl]amino]ethylamino]-3-oxopropanoate
• SMILES: C=COCCOCCOC(=O)CC(=O)NCCNC(=O)CC(=O)OCCOC
• InChI: InChI=1S/C17H28N2O9/c1-3-25-7-8-26-9-11-28-17(23)13-15(21)19-5-4-18-14(20)12-16(22)27-10-6-24-2/h3H,1,4-13H2,2H3,(H,18,20)(H,19,21)
• InChIKey: CUCHEWUPZXWMMJ-UHFFFAOYSA-N
• XLogP: -1.09
• TPSA: 138.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 17
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.42
LogP ≤ 5	-1.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 3-[2-[[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropanoyl]amino]ethylamino]-3-oxopropanoate?

The IUPAC name of 2-methoxyethyl 3-[2-[[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropanoyl]amino]ethylamino]-3-oxopropanoate (CID 58882686) is 2-methoxyethyl 3-[2-[[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropanoyl]amino]ethylamino]-3-oxopropanoate.

What is the SMILES notation for 2-methoxyethyl 3-[2-[[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropanoyl]amino]ethylamino]-3-oxopropanoate?

The canonical SMILES for 2-methoxyethyl 3-[2-[[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropanoyl]amino]ethylamino]-3-oxopropanoate is C=COCCOCCOC(=O)CC(=O)NCCNC(=O)CC(=O)OCCOC.

What is the InChIKey of 2-methoxyethyl 3-[2-[[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropanoyl]amino]ethylamino]-3-oxopropanoate?

The InChIKey is CUCHEWUPZXWMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O9/c1-3-25-7-8-26-9-11-28-17(23)13-15(21)19-5-4-18-14(20)12-16(22)27-10-6-24-2/h3H,1,4-13H2,2H3,(H,18,20)(H,19,21).

What are the key properties of 2-methoxyethyl 3-[2-[[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropanoyl]amino]ethylamino]-3-oxopropanoate?

2-methoxyethyl 3-[2-[[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropanoyl]amino]ethylamino]-3-oxopropanoate has a molecular weight of 404.42 g/mol, XLogP of -1.09, 17 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxyethyl 3-[2-[[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropanoyl]amino]ethylamino]-3-oxopropanoate is sourced from PubChem (CID 58882686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).