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

C32H67NO2 — CID 18358549

IUPAC2-[2-hydroxyethyl(octacosyl)amino]ethanol
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCN(CCO)CCO
InChIInChI=1S/C32H67NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-33(29-31-34)30-32-35/h34-35H,2-32H2,1H3
InChIKeyQJGBHIAGXQTYAM-UHFFFAOYSA-N
MW497.89 g/mol
LogP9.44
Rot. Bonds31

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

2-[2-hydroxyethyl(octacosyl)amino]ethanol (PubChem CID 18358549) has the molecular formula C32H67NO2 and a molecular weight of 497.89 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(octacosyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl(octacosyl)amino]ethanol
PubChem CID18358549
Molecular FormulaC32H67NO2
Molecular Weight497.89 g/mol
Exact Mass497.52
IUPAC Name2-[2-hydroxyethyl(octacosyl)amino]ethanol
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCN(CCO)CCO
InChIInChI=1S/C32H67NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-33(29-31-34)30-32-35/h34-35H,2-32H2,1H3
InChIKeyQJGBHIAGXQTYAM-UHFFFAOYSA-N
XLogP9.44
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds31
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.89
LogP ≤ 59.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-hydroxyethyl(icosyl)amino]ethanol
CID 14389687
2-[butyl(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(octadecyl)amino]ethanol
CID 161305073
2-[2-hydroxyethyl(octadecyl)amino]ethanol;hydrochloride
CID 22999610
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dipentylpentan-1-amine
CID 158613342
3-[hexyl(2-hydroxyethyl)amino]propan-1-ol
CID 138077793
2-[octadecyl(propyl)amino]ethanol
CID 151447456
2-[hexadecyl(propyl)amino]ethanol
CID 18346925
2-[3-[bis(2-hydroxyethyl)amino]propyl-hexadecylamino]ethanol;dihydrofluoride
CID 166791794
4-(didodecylamino)butan-1-ol;2-(didodecylamino)ethanol;3-(didodecylamino)propan-1-ol;2-[di(nonyl)amino]ethanol
CID 158988297
2-[heptyl(propyl)amino]ethanol;methanethiol
CID 177227133
2-[ethyl(nonyl)amino]ethanol
CID 62021397
3-[3-hydroxypropyl(icosyl)amino]propan-1-ol
CID 87327688

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(octacosyl)amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl(octacosyl)amino]ethanol (CID 18358549) is 2-[2-hydroxyethyl(octacosyl)amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl(octacosyl)amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl(octacosyl)amino]ethanol is CCCCCCCCCCCCCCCCCCCCCCCCCCCCN(CCO)CCO.
What is the InChIKey of 2-[2-hydroxyethyl(octacosyl)amino]ethanol?
The InChIKey is QJGBHIAGXQTYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H67NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-33(29-31-34)30-32-35/h34-35H,2-32H2,1H3.
What are the key properties of 2-[2-hydroxyethyl(octacosyl)amino]ethanol?
2-[2-hydroxyethyl(octacosyl)amino]ethanol has a molecular weight of 497.89 g/mol, XLogP of 9.44, 31 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(octacosyl)amino]ethanol is sourced from PubChem (CID 18358549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).