2-(2-methoxyethoxy)ethyl 3-[6-[bis[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropyl]amino]hexyl-[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropyl]amino]propanoate

C41H72N2O16 — CID 156821481

About 2-(2-methoxyethoxy)ethyl 3-[6-[bis[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropyl]amino]hexyl-[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropyl]amino]propanoate

2-(2-methoxyethoxy)ethyl 3-[6-[bis[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropyl]amino]hexyl-[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropyl]amino]propanoate (PubChem CID 156821481) has the molecular formula C41H72N2O16 and a molecular weight of 849.02 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl 3-[6-[bis[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropyl]amino]hexyl-[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropyl]amino]propanoate.

Molecular Properties

• Compound Name: 2-(2-methoxyethoxy)ethyl 3-[6-[bis[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropyl]amino]hexyl-[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropyl]amino]propanoate
• PubChem CID: 156821481
• Molecular Formula: C41H72N2O16
• Molecular Weight: 849.02 g/mol
• Exact Mass: 848.49
• IUPAC Name: 2-(2-methoxyethoxy)ethyl 3-[6-[bis[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropyl]amino]hexyl-[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropyl]amino]propanoate
• SMILES: C=COCCOCCOC(=O)CCN(CCCCCCN(CCC(=O)OCCOCCOC=C)CCC(=O)OCCOCCOC=C)CCC(=O)OCCOCCOC
• InChI: InChI=1S/C41H72N2O16/c1-5-49-24-27-53-31-35-57-39(45)13-19-42(18-12-38(44)56-34-30-52-23-22-48-4)16-10-8-9-11-17-43(20-14-40(46)58-36-32-54-28-25-50-6-2)21-15-41(47)59-37-33-55-29-26-51-7-3/h5-7H,1-3,8-37H2,4H3
• InChIKey: DRQACFWDAQXBBJ-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 185.52 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 46
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	849.02
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)ethyl 3-[6-[bis[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropyl]amino]hexyl-[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropyl]amino]propanoate?

The IUPAC name of 2-(2-methoxyethoxy)ethyl 3-[6-[bis[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropyl]amino]hexyl-[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropyl]amino]propanoate (CID 156821481) is 2-(2-methoxyethoxy)ethyl 3-[6-[bis[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropyl]amino]hexyl-[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropyl]amino]propanoate.

What is the SMILES notation for 2-(2-methoxyethoxy)ethyl 3-[6-[bis[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropyl]amino]hexyl-[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropyl]amino]propanoate?

The canonical SMILES for 2-(2-methoxyethoxy)ethyl 3-[6-[bis[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropyl]amino]hexyl-[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropyl]amino]propanoate is C=COCCOCCOC(=O)CCN(CCCCCCN(CCC(=O)OCCOCCOC=C)CCC(=O)OCCOCCOC=C)CCC(=O)OCCOCCOC.

What is the InChIKey of 2-(2-methoxyethoxy)ethyl 3-[6-[bis[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropyl]amino]hexyl-[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropyl]amino]propanoate?

The InChIKey is DRQACFWDAQXBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H72N2O16/c1-5-49-24-27-53-31-35-57-39(45)13-19-42(18-12-38(44)56-34-30-52-23-22-48-4)16-10-8-9-11-17-43(20-14-40(46)58-36-32-54-28-25-50-6-2)21-15-41(47)59-37-33-55-29-26-51-7-3/h5-7H,1-3,8-37H2,4H3.

What are the key properties of 2-(2-methoxyethoxy)ethyl 3-[6-[bis[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropyl]amino]hexyl-[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropyl]amino]propanoate?

2-(2-methoxyethoxy)ethyl 3-[6-[bis[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropyl]amino]hexyl-[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropyl]amino]propanoate has a molecular weight of 849.02 g/mol, XLogP of 3.08, 46 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methoxyethoxy)ethyl 3-[6-[bis[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropyl]amino]hexyl-[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropyl]amino]propanoate is sourced from PubChem (CID 156821481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).