3-[3-[3-oxo-3-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propoxy]-2,2-bis[[3-oxo-3-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propoxy]methyl]propoxy]-N-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide

C69H120N4O28 — CID 167313088

About 3-[3-[3-oxo-3-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propoxy]-2,2-bis[[3-oxo-3-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propoxy]methyl]propoxy]-N-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide

3-[3-[3-oxo-3-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propoxy]-2,2-bis[[3-oxo-3-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propoxy]methyl]propoxy]-N-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide (PubChem CID 167313088) has the molecular formula C69H120N4O28 and a molecular weight of 1453.72 g/mol. Its IUPAC name is 3-[3-[3-oxo-3-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propoxy]-2,2-bis[[3-oxo-3-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propoxy]methyl]propoxy]-N-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide.

Molecular Properties

• Compound Name: 3-[3-[3-oxo-3-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propoxy]-2,2-bis[[3-oxo-3-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propoxy]methyl]propoxy]-N-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide
• PubChem CID: 167313088
• Molecular Formula: C69H120N4O28
• Molecular Weight: 1453.72 g/mol
• Exact Mass: 1452.81
• IUPAC Name: 3-[3-[3-oxo-3-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propoxy]-2,2-bis[[3-oxo-3-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propoxy]methyl]propoxy]-N-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide
• SMILES: C#CCOCCOCCOCCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCOCCOCCOCC#C)(COCCC(=O)NCCOCCOCCOCCOCCOCC#C)COCCC(=O)NCCOCCOCCOCCOCCOCC#C
• InChI: InChI=1S/C69H120N4O28/c1-5-17-78-29-37-86-45-53-94-57-49-90-41-33-82-25-13-70-65(74)9-21-98-61-69(62-99-22-10-66(75)71-14-26-83-34-42-91-50-58-95-54-46-87-38-30-79-18-6-2,63-100-23-11-67(76)72-15-27-84-35-43-92-51-59-96-55-47-88-39-31-80-19-7-3)64-101-24-12-68(77)73-16-28-85-36-44-93-52-60-97-56-48-89-40-32-81-20-8-4/h1-4H,9-64H2,(H,70,74)(H,71,75)(H,72,76)(H,73,77)
• InChIKey: HQRDCIZTVYREFH-UHFFFAOYSA-N
• XLogP: -1.07
• TPSA: 337.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 84
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1453.72
LogP ≤ 5	-1.07
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-oxo-3-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propoxy]-2,2-bis[[3-oxo-3-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propoxy]methyl]propoxy]-N-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide?

The IUPAC name of 3-[3-[3-oxo-3-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propoxy]-2,2-bis[[3-oxo-3-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propoxy]methyl]propoxy]-N-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide (CID 167313088) is 3-[3-[3-oxo-3-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propoxy]-2,2-bis[[3-oxo-3-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propoxy]methyl]propoxy]-N-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide.

What is the SMILES notation for 3-[3-[3-oxo-3-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propoxy]-2,2-bis[[3-oxo-3-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propoxy]methyl]propoxy]-N-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide?

The canonical SMILES for 3-[3-[3-oxo-3-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propoxy]-2,2-bis[[3-oxo-3-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propoxy]methyl]propoxy]-N-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide is C#CCOCCOCCOCCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCOCCOCCOCC#C)(COCCC(=O)NCCOCCOCCOCCOCCOCC#C)COCCC(=O)NCCOCCOCCOCCOCCOCC#C.

What is the InChIKey of 3-[3-[3-oxo-3-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propoxy]-2,2-bis[[3-oxo-3-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propoxy]methyl]propoxy]-N-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide?

The InChIKey is HQRDCIZTVYREFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H120N4O28/c1-5-17-78-29-37-86-45-53-94-57-49-90-41-33-82-25-13-70-65(74)9-21-98-61-69(62-99-22-10-66(75)71-14-26-83-34-42-91-50-58-95-54-46-87-38-30-79-18-6-2,63-100-23-11-67(76)72-15-27-84-35-43-92-51-59-96-55-47-88-39-31-80-19-7-3)64-101-24-12-68(77)73-16-28-85-36-44-93-52-60-97-56-48-89-40-32-81-20-8-4/h1-4H,9-64H2,(H,70,74)(H,71,75)(H,72,76)(H,73,77).

What are the key properties of 3-[3-[3-oxo-3-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propoxy]-2,2-bis[[3-oxo-3-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propoxy]methyl]propoxy]-N-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide?

3-[3-[3-oxo-3-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propoxy]-2,2-bis[[3-oxo-3-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propoxy]methyl]propoxy]-N-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide has a molecular weight of 1453.72 g/mol, XLogP of -1.07, 84 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[3-oxo-3-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propoxy]-2,2-bis[[3-oxo-3-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]propoxy]methyl]propoxy]-N-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 167313088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).