2-[2-hydroxyethyl(2-octadecoxyethyl)amino]ethanol

C24H51NO3 — CID 57180340

IUPAC2-[2-hydroxyethyl(2-octadecoxyethyl)amino]ethanol
SMILESCCCCCCCCCCCCCCCCCCOCCN(CCO)CCO
InChIInChI=1S/C24H51NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-28-24-20-25(18-21-26)19-22-27/h26-27H,2-24H2,1H3
InChIKeyXGBWAZFLANKIKG-UHFFFAOYSA-N
MW401.68 g/mol
LogP5.55
Rot. Bonds24

About 2-[2-hydroxyethyl(2-octadecoxyethyl)amino]ethanol

2-[2-hydroxyethyl(2-octadecoxyethyl)amino]ethanol (PubChem CID 57180340) has the molecular formula C24H51NO3 and a molecular weight of 401.68 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(2-octadecoxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl(2-octadecoxyethyl)amino]ethanol
PubChem CID57180340
Molecular FormulaC24H51NO3
Molecular Weight401.68 g/mol
Exact Mass401.39
IUPAC Name2-[2-hydroxyethyl(2-octadecoxyethyl)amino]ethanol
SMILESCCCCCCCCCCCCCCCCCCOCCN(CCO)CCO
InChIInChI=1S/C24H51NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-28-24-20-25(18-21-26)19-22-27/h26-27H,2-24H2,1H3
InChIKeyXGBWAZFLANKIKG-UHFFFAOYSA-N
XLogP5.55
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.68
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-hydroxyethyl(2-octadecoxyethyl)amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-dodecoxypropyl-[2-(2-hydroxyethoxy)ethyl]amino]ethanol
CID 3020326
2-[2-hydroxyethyl(3-undecoxypropyl)amino]ethanol
CID 71328174
2-[6-heptoxyhexyl(heptyl)amino]ethanol
CID 167511093
2-[3-octadecoxypropyl(propyl)amino]ethanol
CID 157484985
2-[hexatriacontyl-[2-(2-hydroxyethoxy)ethyl]amino]ethanol
CID 54313523
2-[2-butoxyethyl(butyl)amino]ethanol
CID 62016788
hypochlorous acid;2-octoxy-N,N-bis(2-octoxyethyl)ethanamine
CID 88657815
2-[2-dodecoxyethyl(2-hydroxyethyl)amino]ethyl acetate
CID 150039570
3-[3-hydroxypropyl(3-octadecoxypropyl)amino]propan-1-ol
CID 14389695
N-butyl-N-(2-hexoxyethyl)butan-1-amine;hydrochloride
CID 131884842
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[hexadecyl-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 59297390
2-[2-[2-[2-[3-[hexadecyl-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 59297413

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(2-octadecoxyethyl)amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl(2-octadecoxyethyl)amino]ethanol (CID 57180340) is 2-[2-hydroxyethyl(2-octadecoxyethyl)amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl(2-octadecoxyethyl)amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl(2-octadecoxyethyl)amino]ethanol is CCCCCCCCCCCCCCCCCCOCCN(CCO)CCO.
What is the InChIKey of 2-[2-hydroxyethyl(2-octadecoxyethyl)amino]ethanol?
The InChIKey is XGBWAZFLANKIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-28-24-20-25(18-21-26)19-22-27/h26-27H,2-24H2,1H3.
What are the key properties of 2-[2-hydroxyethyl(2-octadecoxyethyl)amino]ethanol?
2-[2-hydroxyethyl(2-octadecoxyethyl)amino]ethanol has a molecular weight of 401.68 g/mol, XLogP of 5.55, 24 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(2-octadecoxyethyl)amino]ethanol is sourced from PubChem (CID 57180340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).