N-[4-[2-[2-[2-[2-[2-[2-(3-hydroxypropylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]octadecanamide

C37H72N4O9 — CID 166959227

About N-[4-[2-[2-[2-[2-[2-[2-(3-hydroxypropylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]octadecanamide

N-[4-[2-[2-[2-[2-[2-[2-(3-hydroxypropylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]octadecanamide (PubChem CID 166959227) has the molecular formula C37H72N4O9 and a molecular weight of 717.00 g/mol. Its IUPAC name is N-[4-[2-[2-[2-[2-[2-[2-(3-hydroxypropylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]octadecanamide.

Molecular Properties

• Compound Name: N-[4-[2-[2-[2-[2-[2-[2-(3-hydroxypropylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]octadecanamide
• PubChem CID: 166959227
• Molecular Formula: C37H72N4O9
• Molecular Weight: 717.00 g/mol
• Exact Mass: 716.53
• IUPAC Name: N-[4-[2-[2-[2-[2-[2-[2-(3-hydroxypropylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]octadecanamide
• SMILES: CCCCCCCCCCCCCCCCCC(=O)NCCCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)NCCCO
• InChI: InChI=1S/C37H72N4O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-34(43)38-21-17-20-35(44)40-23-26-47-28-31-50-33-37(46)41-24-27-48-29-30-49-32-36(45)39-22-18-25-42/h42H,2-33H2,1H3,(H,38,43)(H,39,45)(H,40,44)(H,41,46)
• InChIKey: QVKJNKVMBFGUHQ-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 173.55 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 39
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	717.00
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-[2-[2-[2-[2-(3-hydroxypropylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]octadecanamide?

The IUPAC name of N-[4-[2-[2-[2-[2-[2-[2-(3-hydroxypropylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]octadecanamide (CID 166959227) is N-[4-[2-[2-[2-[2-[2-[2-(3-hydroxypropylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]octadecanamide.

What is the SMILES notation for N-[4-[2-[2-[2-[2-[2-[2-(3-hydroxypropylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]octadecanamide?

The canonical SMILES for N-[4-[2-[2-[2-[2-[2-[2-(3-hydroxypropylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NCCCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)NCCCO.

What is the InChIKey of N-[4-[2-[2-[2-[2-[2-[2-(3-hydroxypropylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]octadecanamide?

The InChIKey is QVKJNKVMBFGUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H72N4O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-34(43)38-21-17-20-35(44)40-23-26-47-28-31-50-33-37(46)41-24-27-48-29-30-49-32-36(45)39-22-18-25-42/h42H,2-33H2,1H3,(H,38,43)(H,39,45)(H,40,44)(H,41,46).

What are the key properties of N-[4-[2-[2-[2-[2-[2-[2-(3-hydroxypropylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]octadecanamide?

N-[4-[2-[2-[2-[2-[2-[2-(3-hydroxypropylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]octadecanamide has a molecular weight of 717.00 g/mol, XLogP of 3.94, 39 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[2-[2-[2-[2-[2-(3-hydroxypropylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]octadecanamide is sourced from PubChem (CID 166959227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).