N-[5-[2-[2-[3-(diphosphanyl)-3-oxopropoxy]ethoxy]ethyl-[2-[2-(3-oxo-3-phosphanylpropoxy)ethoxy]ethyl]amino]-5-oxopentyl]octadecanamide

C37H73N2O8P3 — CID 122631852

About N-[5-[2-[2-[3-(diphosphanyl)-3-oxopropoxy]ethoxy]ethyl-[2-[2-(3-oxo-3-phosphanylpropoxy)ethoxy]ethyl]amino]-5-oxopentyl]octadecanamide

N-[5-[2-[2-[3-(diphosphanyl)-3-oxopropoxy]ethoxy]ethyl-[2-[2-(3-oxo-3-phosphanylpropoxy)ethoxy]ethyl]amino]-5-oxopentyl]octadecanamide (PubChem CID 122631852) has the molecular formula C37H73N2O8P3 and a molecular weight of 766.92 g/mol. Its IUPAC name is N-[5-[2-[2-[3-(diphosphanyl)-3-oxopropoxy]ethoxy]ethyl-[2-[2-(3-oxo-3-phosphanylpropoxy)ethoxy]ethyl]amino]-5-oxopentyl]octadecanamide.

Molecular Properties

• Compound Name: N-[5-[2-[2-[3-(diphosphanyl)-3-oxopropoxy]ethoxy]ethyl-[2-[2-(3-oxo-3-phosphanylpropoxy)ethoxy]ethyl]amino]-5-oxopentyl]octadecanamide
• PubChem CID: 122631852
• Molecular Formula: C37H73N2O8P3
• Molecular Weight: 766.92 g/mol
• Exact Mass: 766.46
• IUPAC Name: N-[5-[2-[2-[3-(diphosphanyl)-3-oxopropoxy]ethoxy]ethyl-[2-[2-(3-oxo-3-phosphanylpropoxy)ethoxy]ethyl]amino]-5-oxopentyl]octadecanamide
• SMILES: CCCCCCCCCCCCCCCCCC(=O)NCCCCC(=O)N(CCOCCOCCC(=O)P)CCOCCOCCC(=O)PP
• InChI: InChI=1S/C37H73N2O8P3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-34(40)38-23-18-17-20-35(41)39(24-28-46-32-30-44-26-21-36(42)48)25-29-47-33-31-45-27-22-37(43)50-49/h50H,2-33,48-49H2,1H3,(H,38,40)
• InChIKey: JSYAHJNDIHSJHP-UHFFFAOYSA-N
• XLogP: 7.61
• TPSA: 120.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 40
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	766.92
LogP ≤ 5	7.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[2-[3-(diphosphanyl)-3-oxopropoxy]ethoxy]ethyl-[2-[2-(3-oxo-3-phosphanylpropoxy)ethoxy]ethyl]amino]-5-oxopentyl]octadecanamide?

The IUPAC name of N-[5-[2-[2-[3-(diphosphanyl)-3-oxopropoxy]ethoxy]ethyl-[2-[2-(3-oxo-3-phosphanylpropoxy)ethoxy]ethyl]amino]-5-oxopentyl]octadecanamide (CID 122631852) is N-[5-[2-[2-[3-(diphosphanyl)-3-oxopropoxy]ethoxy]ethyl-[2-[2-(3-oxo-3-phosphanylpropoxy)ethoxy]ethyl]amino]-5-oxopentyl]octadecanamide.

What is the SMILES notation for N-[5-[2-[2-[3-(diphosphanyl)-3-oxopropoxy]ethoxy]ethyl-[2-[2-(3-oxo-3-phosphanylpropoxy)ethoxy]ethyl]amino]-5-oxopentyl]octadecanamide?

The canonical SMILES for N-[5-[2-[2-[3-(diphosphanyl)-3-oxopropoxy]ethoxy]ethyl-[2-[2-(3-oxo-3-phosphanylpropoxy)ethoxy]ethyl]amino]-5-oxopentyl]octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NCCCCC(=O)N(CCOCCOCCC(=O)P)CCOCCOCCC(=O)PP.

What is the InChIKey of N-[5-[2-[2-[3-(diphosphanyl)-3-oxopropoxy]ethoxy]ethyl-[2-[2-(3-oxo-3-phosphanylpropoxy)ethoxy]ethyl]amino]-5-oxopentyl]octadecanamide?

The InChIKey is JSYAHJNDIHSJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H73N2O8P3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-34(40)38-23-18-17-20-35(41)39(24-28-46-32-30-44-26-21-36(42)48)25-29-47-33-31-45-27-22-37(43)50-49/h50H,2-33,48-49H2,1H3,(H,38,40).

What are the key properties of N-[5-[2-[2-[3-(diphosphanyl)-3-oxopropoxy]ethoxy]ethyl-[2-[2-(3-oxo-3-phosphanylpropoxy)ethoxy]ethyl]amino]-5-oxopentyl]octadecanamide?

N-[5-[2-[2-[3-(diphosphanyl)-3-oxopropoxy]ethoxy]ethyl-[2-[2-(3-oxo-3-phosphanylpropoxy)ethoxy]ethyl]amino]-5-oxopentyl]octadecanamide has a molecular weight of 766.92 g/mol, XLogP of 7.61, 40 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-[2-[3-(diphosphanyl)-3-oxopropoxy]ethoxy]ethyl-[2-[2-(3-oxo-3-phosphanylpropoxy)ethoxy]ethyl]amino]-5-oxopentyl]octadecanamide is sourced from PubChem (CID 122631852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).