2-[2-[2-[2-(benzylamino)-1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-yl]oxyethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;hydrochloride

C43H84ClNO14 — CID 173417720

About 2-[2-[2-[2-(benzylamino)-1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-yl]oxyethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;hydrochloride

2-[2-[2-[2-(benzylamino)-1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-yl]oxyethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;hydrochloride (PubChem CID 173417720) has the molecular formula C43H84ClNO14 and a molecular weight of 874.59 g/mol. Its IUPAC name is 2-[2-[2-[2-(benzylamino)-1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-yl]oxyethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;hydrochloride.

Molecular Properties

• Compound Name: 2-[2-[2-[2-(benzylamino)-1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-yl]oxyethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;hydrochloride
• PubChem CID: 173417720
• Molecular Formula: C43H84ClNO14
• Molecular Weight: 874.59 g/mol
• Exact Mass: 873.56
• IUPAC Name: 2-[2-[2-[2-(benzylamino)-1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-yl]oxyethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;hydrochloride
• SMILES: CCCCCCCCCCCCC(COCCOCCO)(NCc1ccccc1)OCCOCCOCCO.Cl.OCCOCCOCCOCCOCCOCCO
• InChI: InChI=1S/C31H57NO7.C12H26O7.ClH/c1-2-3-4-5-6-7-8-9-10-14-17-31(29-38-25-24-36-21-19-34,32-28-30-15-12-11-13-16-30)39-27-26-37-23-22-35-20-18-33;13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14;/h11-13,15-16,32-34H,2-10,14,17-29H2,1H3;13-14H,1-12H2;1H
• InChIKey: WNPXCHDNKJUVEQ-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 185.25 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 46
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	874.59
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(benzylamino)-1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-yl]oxyethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;hydrochloride?

The IUPAC name of 2-[2-[2-[2-(benzylamino)-1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-yl]oxyethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;hydrochloride (CID 173417720) is 2-[2-[2-[2-(benzylamino)-1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-yl]oxyethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;hydrochloride.

What is the SMILES notation for 2-[2-[2-[2-(benzylamino)-1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-yl]oxyethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;hydrochloride?

The canonical SMILES for 2-[2-[2-[2-(benzylamino)-1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-yl]oxyethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;hydrochloride is CCCCCCCCCCCCC(COCCOCCO)(NCc1ccccc1)OCCOCCOCCO.Cl.OCCOCCOCCOCCOCCOCCO.

What is the InChIKey of 2-[2-[2-[2-(benzylamino)-1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-yl]oxyethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;hydrochloride?

The InChIKey is WNPXCHDNKJUVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H57NO7.C12H26O7.ClH/c1-2-3-4-5-6-7-8-9-10-14-17-31(29-38-25-24-36-21-19-34,32-28-30-15-12-11-13-16-30)39-27-26-37-23-22-35-20-18-33;13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14;/h11-13,15-16,32-34H,2-10,14,17-29H2,1H3;13-14H,1-12H2;1H.

What are the key properties of 2-[2-[2-[2-(benzylamino)-1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-yl]oxyethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;hydrochloride?

2-[2-[2-[2-(benzylamino)-1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-yl]oxyethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;hydrochloride has a molecular weight of 874.59 g/mol, XLogP of 4.33, 46 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-(benzylamino)-1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-yl]oxyethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;hydrochloride is sourced from PubChem (CID 173417720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).