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

C33H65N2O6P3 — CID 122631848

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

N-[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]octadecanamide (PubChem CID 122631848) has the molecular formula C33H65N2O6P3 and a molecular weight of 678.81 g/mol. Its IUPAC name is N-[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]octadecanamide.

Molecular Properties

• Compound Name: N-[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]octadecanamide
• PubChem CID: 122631848
• Molecular Formula: C33H65N2O6P3
• Molecular Weight: 678.81 g/mol
• Exact Mass: 678.41
• IUPAC Name: N-[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]octadecanamide
• SMILES: CCCCCCCCCCCCCCCCCC(=O)NCCCCC(=O)N(CCOCCC(=O)P)CCOCCC(=O)PP
• InChI: InChI=1S/C33H65N2O6P3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-30(36)34-23-18-17-20-31(37)35(24-28-40-26-21-32(38)42)25-29-41-27-22-33(39)44-43/h44H,2-29,42-43H2,1H3,(H,34,36)
• InChIKey: YNOCMHLPGKORDP-UHFFFAOYSA-N
• XLogP: 7.57
• TPSA: 102.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 34
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	678.81
LogP ≤ 5	7.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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

The IUPAC name of N-[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]octadecanamide (CID 122631848) is N-[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]octadecanamide.

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

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

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

The InChIKey is YNOCMHLPGKORDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H65N2O6P3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-30(36)34-23-18-17-20-31(37)35(24-28-40-26-21-32(38)42)25-29-41-27-22-33(39)44-43/h44H,2-29,42-43H2,1H3,(H,34,36).

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

N-[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]octadecanamide has a molecular weight of 678.81 g/mol, XLogP of 7.57, 34 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]octadecanamide is sourced from PubChem (CID 122631848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).