(dihexylamino) 10-[[10-(dihexylamino)oxy-10-oxodecyl]-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]decanoate

C50H101N3O7 — CID 167224227

About (dihexylamino) 10-[[10-(dihexylamino)oxy-10-oxodecyl]-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]decanoate

(dihexylamino) 10-[[10-(dihexylamino)oxy-10-oxodecyl]-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]decanoate (PubChem CID 167224227) has the molecular formula C50H101N3O7 and a molecular weight of 856.37 g/mol. Its IUPAC name is (dihexylamino) 10-[[10-(dihexylamino)oxy-10-oxodecyl]-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]decanoate.

Molecular Properties

• Compound Name: (dihexylamino) 10-[[10-(dihexylamino)oxy-10-oxodecyl]-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]decanoate
• PubChem CID: 167224227
• Molecular Formula: C50H101N3O7
• Molecular Weight: 856.37 g/mol
• Exact Mass: 855.76
• IUPAC Name: (dihexylamino) 10-[[10-(dihexylamino)oxy-10-oxodecyl]-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]decanoate
• SMILES: CCCCCCN(CCCCCC)OC(=O)CCCCCCCCCN(CCCCCCCCCC(=O)ON(CCCCCC)CCCCCC)CCOCCOCCO
• InChI: InChI=1S/C50H101N3O7/c1-5-9-13-31-39-52(40-32-14-10-6-2)59-49(55)35-27-23-19-17-21-25-29-37-51(43-45-57-47-48-58-46-44-54)38-30-26-22-18-20-24-28-36-50(56)60-53(41-33-15-11-7-3)42-34-16-12-8-4/h54H,5-48H2,1-4H3
• InChIKey: YRNPCMXYCAVPGO-UHFFFAOYSA-N
• XLogP: 12.40
• TPSA: 101.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 50
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	856.37
LogP ≤ 5	12.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (dihexylamino) 10-[[10-(dihexylamino)oxy-10-oxodecyl]-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]decanoate?

The IUPAC name of (dihexylamino) 10-[[10-(dihexylamino)oxy-10-oxodecyl]-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]decanoate (CID 167224227) is (dihexylamino) 10-[[10-(dihexylamino)oxy-10-oxodecyl]-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]decanoate.

What is the SMILES notation for (dihexylamino) 10-[[10-(dihexylamino)oxy-10-oxodecyl]-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]decanoate?

The canonical SMILES for (dihexylamino) 10-[[10-(dihexylamino)oxy-10-oxodecyl]-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]decanoate is CCCCCCN(CCCCCC)OC(=O)CCCCCCCCCN(CCCCCCCCCC(=O)ON(CCCCCC)CCCCCC)CCOCCOCCO.

What is the InChIKey of (dihexylamino) 10-[[10-(dihexylamino)oxy-10-oxodecyl]-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]decanoate?

The InChIKey is YRNPCMXYCAVPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H101N3O7/c1-5-9-13-31-39-52(40-32-14-10-6-2)59-49(55)35-27-23-19-17-21-25-29-37-51(43-45-57-47-48-58-46-44-54)38-30-26-22-18-20-24-28-36-50(56)60-53(41-33-15-11-7-3)42-34-16-12-8-4/h54H,5-48H2,1-4H3.

What are the key properties of (dihexylamino) 10-[[10-(dihexylamino)oxy-10-oxodecyl]-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]decanoate?

(dihexylamino) 10-[[10-(dihexylamino)oxy-10-oxodecyl]-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]decanoate has a molecular weight of 856.37 g/mol, XLogP of 12.40, 50 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (dihexylamino) 10-[[10-(dihexylamino)oxy-10-oxodecyl]-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]decanoate is sourced from PubChem (CID 167224227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).