2-[4-[2-[4-[bis(2-hydroxyethoxy)amino]phenyl]ethenyl]-N-(2-hydroxyethoxy)anilino]oxyethanol

C22H30N2O8 — CID 173272020

IUPAC2-[4-[2-[4-[bis(2-hydroxyethoxy)amino]phenyl]ethenyl]-N-(2-hydroxyethoxy)anilino]oxyethanol
SMILESOCCON(OCCO)c1ccc(C=Cc2ccc(N(OCCO)OCCO)cc2)cc1
InChIInChI=1S/C22H30N2O8/c25-11-15-29-23(30-16-12-26)21-7-3-19(4-8-21)1-2-20-5-9-22(10-6-20)24(31-17-13-27)32-18-14-28/h1-10,25-28H,11-18H2
InChIKeyAPOTUCAYRDXYQC-UHFFFAOYSA-N
MW450.49 g/mol
LogP1.17
Rot. Bonds16

About 2-[4-[2-[4-[bis(2-hydroxyethoxy)amino]phenyl]ethenyl]-N-(2-hydroxyethoxy)anilino]oxyethanol

2-[4-[2-[4-[bis(2-hydroxyethoxy)amino]phenyl]ethenyl]-N-(2-hydroxyethoxy)anilino]oxyethanol (PubChem CID 173272020) has the molecular formula C22H30N2O8 and a molecular weight of 450.49 g/mol. Its IUPAC name is 2-[4-[2-[4-[bis(2-hydroxyethoxy)amino]phenyl]ethenyl]-N-(2-hydroxyethoxy)anilino]oxyethanol.

Molecular Properties

Compound Name2-[4-[2-[4-[bis(2-hydroxyethoxy)amino]phenyl]ethenyl]-N-(2-hydroxyethoxy)anilino]oxyethanol
PubChem CID173272020
Molecular FormulaC22H30N2O8
Molecular Weight450.49 g/mol
Exact Mass450.20
IUPAC Name2-[4-[2-[4-[bis(2-hydroxyethoxy)amino]phenyl]ethenyl]-N-(2-hydroxyethoxy)anilino]oxyethanol
SMILESOCCON(OCCO)c1ccc(C=Cc2ccc(N(OCCO)OCCO)cc2)cc1
InChIInChI=1S/C22H30N2O8/c25-11-15-29-23(30-16-12-26)21-7-3-19(4-8-21)1-2-20-5-9-22(10-6-20)24(31-17-13-27)32-18-14-28/h1-10,25-28H,11-18H2
InChIKeyAPOTUCAYRDXYQC-UHFFFAOYSA-N
XLogP1.17
TPSA124.32 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 51.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-[bis(2-hydroxyethoxy)amino]phenyl]ethenyl]-N-(2-hydroxyethoxy)anilino]oxyethanol?
The IUPAC name of 2-[4-[2-[4-[bis(2-hydroxyethoxy)amino]phenyl]ethenyl]-N-(2-hydroxyethoxy)anilino]oxyethanol (CID 173272020) is 2-[4-[2-[4-[bis(2-hydroxyethoxy)amino]phenyl]ethenyl]-N-(2-hydroxyethoxy)anilino]oxyethanol.
What is the SMILES notation for 2-[4-[2-[4-[bis(2-hydroxyethoxy)amino]phenyl]ethenyl]-N-(2-hydroxyethoxy)anilino]oxyethanol?
The canonical SMILES for 2-[4-[2-[4-[bis(2-hydroxyethoxy)amino]phenyl]ethenyl]-N-(2-hydroxyethoxy)anilino]oxyethanol is OCCON(OCCO)c1ccc(C=Cc2ccc(N(OCCO)OCCO)cc2)cc1.
What is the InChIKey of 2-[4-[2-[4-[bis(2-hydroxyethoxy)amino]phenyl]ethenyl]-N-(2-hydroxyethoxy)anilino]oxyethanol?
The InChIKey is APOTUCAYRDXYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O8/c25-11-15-29-23(30-16-12-26)21-7-3-19(4-8-21)1-2-20-5-9-22(10-6-20)24(31-17-13-27)32-18-14-28/h1-10,25-28H,11-18H2.
What are the key properties of 2-[4-[2-[4-[bis(2-hydroxyethoxy)amino]phenyl]ethenyl]-N-(2-hydroxyethoxy)anilino]oxyethanol?
2-[4-[2-[4-[bis(2-hydroxyethoxy)amino]phenyl]ethenyl]-N-(2-hydroxyethoxy)anilino]oxyethanol has a molecular weight of 450.49 g/mol, XLogP of 1.17, 16 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-[bis(2-hydroxyethoxy)amino]phenyl]ethenyl]-N-(2-hydroxyethoxy)anilino]oxyethanol is sourced from PubChem (CID 173272020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).