2-[3-[3-[3-[bis(2-hydroxyethyl)amino]phenyl]butyl]-N-(2-hydroxyethyl)anilino]ethanol

C24H36N2O4 — CID 91344264

IUPAC2-[3-[3-[3-[bis(2-hydroxyethyl)amino]phenyl]butyl]-N-(2-hydroxyethyl)anilino]ethanol
SMILESCC(CCc1cccc(N(CCO)CCO)c1)c1cccc(N(CCO)CCO)c1
InChIInChI=1S/C24H36N2O4/c1-20(22-5-3-7-24(19-22)26(12-16-29)13-17-30)8-9-21-4-2-6-23(18-21)25(10-14-27)11-15-28/h2-7,18-20,27-30H,8-17H2,1H3
InChIKeyQRZISYWWALOLKO-UHFFFAOYSA-N
MW416.56 g/mol
LogP2.00
Rot. Bonds14

About 2-[3-[3-[3-[bis(2-hydroxyethyl)amino]phenyl]butyl]-N-(2-hydroxyethyl)anilino]ethanol

2-[3-[3-[3-[bis(2-hydroxyethyl)amino]phenyl]butyl]-N-(2-hydroxyethyl)anilino]ethanol (PubChem CID 91344264) has the molecular formula C24H36N2O4 and a molecular weight of 416.56 g/mol. Its IUPAC name is 2-[3-[3-[3-[bis(2-hydroxyethyl)amino]phenyl]butyl]-N-(2-hydroxyethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[3-[3-[3-[bis(2-hydroxyethyl)amino]phenyl]butyl]-N-(2-hydroxyethyl)anilino]ethanol
PubChem CID91344264
Molecular FormulaC24H36N2O4
Molecular Weight416.56 g/mol
Exact Mass416.27
IUPAC Name2-[3-[3-[3-[bis(2-hydroxyethyl)amino]phenyl]butyl]-N-(2-hydroxyethyl)anilino]ethanol
SMILESCC(CCc1cccc(N(CCO)CCO)c1)c1cccc(N(CCO)CCO)c1
InChIInChI=1S/C24H36N2O4/c1-20(22-5-3-7-24(19-22)26(12-16-29)13-17-30)8-9-21-4-2-6-23(18-21)25(10-14-27)11-15-28/h2-7,18-20,27-30H,8-17H2,1H3
InChIKeyQRZISYWWALOLKO-UHFFFAOYSA-N
XLogP2.00
TPSA87.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.56
LogP ≤ 52.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[3-[bis(2-hydroxyethyl)amino]phenyl]butyl]-N-(2-hydroxyethyl)anilino]ethanol?
The IUPAC name of 2-[3-[3-[3-[bis(2-hydroxyethyl)amino]phenyl]butyl]-N-(2-hydroxyethyl)anilino]ethanol (CID 91344264) is 2-[3-[3-[3-[bis(2-hydroxyethyl)amino]phenyl]butyl]-N-(2-hydroxyethyl)anilino]ethanol.
What is the SMILES notation for 2-[3-[3-[3-[bis(2-hydroxyethyl)amino]phenyl]butyl]-N-(2-hydroxyethyl)anilino]ethanol?
The canonical SMILES for 2-[3-[3-[3-[bis(2-hydroxyethyl)amino]phenyl]butyl]-N-(2-hydroxyethyl)anilino]ethanol is CC(CCc1cccc(N(CCO)CCO)c1)c1cccc(N(CCO)CCO)c1.
What is the InChIKey of 2-[3-[3-[3-[bis(2-hydroxyethyl)amino]phenyl]butyl]-N-(2-hydroxyethyl)anilino]ethanol?
The InChIKey is QRZISYWWALOLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O4/c1-20(22-5-3-7-24(19-22)26(12-16-29)13-17-30)8-9-21-4-2-6-23(18-21)25(10-14-27)11-15-28/h2-7,18-20,27-30H,8-17H2,1H3.
What are the key properties of 2-[3-[3-[3-[bis(2-hydroxyethyl)amino]phenyl]butyl]-N-(2-hydroxyethyl)anilino]ethanol?
2-[3-[3-[3-[bis(2-hydroxyethyl)amino]phenyl]butyl]-N-(2-hydroxyethyl)anilino]ethanol has a molecular weight of 416.56 g/mol, XLogP of 2.00, 14 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[3-[bis(2-hydroxyethyl)amino]phenyl]butyl]-N-(2-hydroxyethyl)anilino]ethanol is sourced from PubChem (CID 91344264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).