2-[2-[3-[bis[2-(2-hydroxyethoxy)ethyl]amino]propyl-docosylamino]ethoxy]ethanol

C37H78N2O6 — CID 170851737

IUPAC2-[2-[3-[bis[2-(2-hydroxyethoxy)ethyl]amino]propyl-docosylamino]ethoxy]ethanol
SMILESCCCCCCCCCCCCCCCCCCCCCCN(CCCN(CCOCCO)CCOCCO)CCOCCO
InChIInChI=1S/C37H78N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-38(26-32-43-35-29-40)24-22-25-39(27-33-44-36-30-41)28-34-45-37-31-42/h40-42H,2-37H2,1H3
InChIKeyQAUBHXQSVWHODL-UHFFFAOYSA-N
MW647.04 g/mol
LogP6.83
Rot. Bonds40

About 2-[2-[3-[bis[2-(2-hydroxyethoxy)ethyl]amino]propyl-docosylamino]ethoxy]ethanol

2-[2-[3-[bis[2-(2-hydroxyethoxy)ethyl]amino]propyl-docosylamino]ethoxy]ethanol (PubChem CID 170851737) has the molecular formula C37H78N2O6 and a molecular weight of 647.04 g/mol. Its IUPAC name is 2-[2-[3-[bis[2-(2-hydroxyethoxy)ethyl]amino]propyl-docosylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[3-[bis[2-(2-hydroxyethoxy)ethyl]amino]propyl-docosylamino]ethoxy]ethanol
PubChem CID170851737
Molecular FormulaC37H78N2O6
Molecular Weight647.04 g/mol
Exact Mass646.59
IUPAC Name2-[2-[3-[bis[2-(2-hydroxyethoxy)ethyl]amino]propyl-docosylamino]ethoxy]ethanol
SMILESCCCCCCCCCCCCCCCCCCCCCCN(CCCN(CCOCCO)CCOCCO)CCOCCO
InChIInChI=1S/C37H78N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-38(26-32-43-35-29-40)24-22-25-39(27-33-44-36-30-41)28-34-45-37-31-42/h40-42H,2-37H2,1H3
InChIKeyQAUBHXQSVWHODL-UHFFFAOYSA-N
XLogP6.83
TPSA94.86 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds40
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.04
LogP ≤ 56.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[bis[2-(2-hydroxyethoxy)ethyl]amino]propyl-docosylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[3-[bis[2-(2-hydroxyethoxy)ethyl]amino]propyl-docosylamino]ethoxy]ethanol (CID 170851737) is 2-[2-[3-[bis[2-(2-hydroxyethoxy)ethyl]amino]propyl-docosylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[3-[bis[2-(2-hydroxyethoxy)ethyl]amino]propyl-docosylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[3-[bis[2-(2-hydroxyethoxy)ethyl]amino]propyl-docosylamino]ethoxy]ethanol is CCCCCCCCCCCCCCCCCCCCCCN(CCCN(CCOCCO)CCOCCO)CCOCCO.
What is the InChIKey of 2-[2-[3-[bis[2-(2-hydroxyethoxy)ethyl]amino]propyl-docosylamino]ethoxy]ethanol?
The InChIKey is QAUBHXQSVWHODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H78N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-38(26-32-43-35-29-40)24-22-25-39(27-33-44-36-30-41)28-34-45-37-31-42/h40-42H,2-37H2,1H3.
What are the key properties of 2-[2-[3-[bis[2-(2-hydroxyethoxy)ethyl]amino]propyl-docosylamino]ethoxy]ethanol?
2-[2-[3-[bis[2-(2-hydroxyethoxy)ethyl]amino]propyl-docosylamino]ethoxy]ethanol has a molecular weight of 647.04 g/mol, XLogP of 6.83, 40 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[bis[2-(2-hydroxyethoxy)ethyl]amino]propyl-docosylamino]ethoxy]ethanol is sourced from PubChem (CID 170851737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).