ethyl 3-[2-[2-[2-[bis[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropyl]amino]ethoxy]ethoxy]ethyl-[3-(2-hydroxyethoxy)-3-oxopropyl]amino]propanoate

C34H60N2O15 — CID 156821479

About ethyl 3-[2-[2-[2-[bis[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropyl]amino]ethoxy]ethoxy]ethyl-[3-(2-hydroxyethoxy)-3-oxopropyl]amino]propanoate

ethyl 3-[2-[2-[2-[bis[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropyl]amino]ethoxy]ethoxy]ethyl-[3-(2-hydroxyethoxy)-3-oxopropyl]amino]propanoate (PubChem CID 156821479) has the molecular formula C34H60N2O15 and a molecular weight of 736.85 g/mol. Its IUPAC name is ethyl 3-[2-[2-[2-[bis[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropyl]amino]ethoxy]ethoxy]ethyl-[3-(2-hydroxyethoxy)-3-oxopropyl]amino]propanoate.

Molecular Properties

• Compound Name: ethyl 3-[2-[2-[2-[bis[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropyl]amino]ethoxy]ethoxy]ethyl-[3-(2-hydroxyethoxy)-3-oxopropyl]amino]propanoate
• PubChem CID: 156821479
• Molecular Formula: C34H60N2O15
• Molecular Weight: 736.85 g/mol
• Exact Mass: 736.40
• IUPAC Name: ethyl 3-[2-[2-[2-[bis[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropyl]amino]ethoxy]ethoxy]ethyl-[3-(2-hydroxyethoxy)-3-oxopropyl]amino]propanoate
• SMILES: C=COCCOCCOC(=O)CCN(CCOCCOCCN(CCC(=O)OCC)CCC(=O)OCCO)CCC(=O)OCCOCCOC=C
• InChI: InChI=1S/C34H60N2O15/c1-4-42-21-23-46-27-29-50-33(40)9-13-36(14-10-34(41)51-30-28-47-24-22-43-5-2)16-19-45-26-25-44-18-15-35(11-7-31(38)48-6-3)12-8-32(39)49-20-17-37/h4-5,37H,1-2,6-30H2,3H3
• InChIKey: XJMVOKAWKQKWBO-UHFFFAOYSA-N
• XLogP: 0.72
• TPSA: 187.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 38
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	736.85
LogP ≤ 5	0.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

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 ethyl 3-[2-[2-[2-[bis[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropyl]amino]ethoxy]ethoxy]ethyl-[3-(2-hydroxyethoxy)-3-oxopropyl]amino]propanoate?

The IUPAC name of ethyl 3-[2-[2-[2-[bis[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropyl]amino]ethoxy]ethoxy]ethyl-[3-(2-hydroxyethoxy)-3-oxopropyl]amino]propanoate (CID 156821479) is ethyl 3-[2-[2-[2-[bis[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropyl]amino]ethoxy]ethoxy]ethyl-[3-(2-hydroxyethoxy)-3-oxopropyl]amino]propanoate.

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

The canonical SMILES for ethyl 3-[2-[2-[2-[bis[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropyl]amino]ethoxy]ethoxy]ethyl-[3-(2-hydroxyethoxy)-3-oxopropyl]amino]propanoate is C=COCCOCCOC(=O)CCN(CCOCCOCCN(CCC(=O)OCC)CCC(=O)OCCO)CCC(=O)OCCOCCOC=C.

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

The InChIKey is XJMVOKAWKQKWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H60N2O15/c1-4-42-21-23-46-27-29-50-33(40)9-13-36(14-10-34(41)51-30-28-47-24-22-43-5-2)16-19-45-26-25-44-18-15-35(11-7-31(38)48-6-3)12-8-32(39)49-20-17-37/h4-5,37H,1-2,6-30H2,3H3.

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

ethyl 3-[2-[2-[2-[bis[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropyl]amino]ethoxy]ethoxy]ethyl-[3-(2-hydroxyethoxy)-3-oxopropyl]amino]propanoate has a molecular weight of 736.85 g/mol, XLogP of 0.72, 38 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 3-[2-[2-[2-[bis[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropyl]amino]ethoxy]ethoxy]ethyl-[3-(2-hydroxyethoxy)-3-oxopropyl]amino]propanoate is sourced from PubChem (CID 156821479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).