2-[2-hydroxyethyl(icosyl)amino]ethanol;tetradecanoic acid

C38H79NO4 — CID 158492988

IUPAC2-[2-hydroxyethyl(icosyl)amino]ethanol;tetradecanoic acid
SMILESCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCCCCN(CCO)CCO
InChIInChI=1S/C24H51NO2.C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(21-23-26)22-24-27;1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h26-27H,2-24H2,1H3;2-13H2,1H3,(H,15,16)
InChIKeyHIXUEVRPLJWKRS-UHFFFAOYSA-N
MW614.05 g/mol
LogP11.09
Rot. Bonds35

About 2-[2-hydroxyethyl(icosyl)amino]ethanol;tetradecanoic acid

2-[2-hydroxyethyl(icosyl)amino]ethanol;tetradecanoic acid (PubChem CID 158492988) has the molecular formula C38H79NO4 and a molecular weight of 614.05 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(icosyl)amino]ethanol;tetradecanoic acid.

Molecular Properties

Compound Name2-[2-hydroxyethyl(icosyl)amino]ethanol;tetradecanoic acid
PubChem CID158492988
Molecular FormulaC38H79NO4
Molecular Weight614.05 g/mol
Exact Mass613.60
IUPAC Name2-[2-hydroxyethyl(icosyl)amino]ethanol;tetradecanoic acid
SMILESCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCCCCN(CCO)CCO
InChIInChI=1S/C24H51NO2.C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(21-23-26)22-24-27;1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h26-27H,2-24H2,1H3;2-13H2,1H3,(H,15,16)
InChIKeyHIXUEVRPLJWKRS-UHFFFAOYSA-N
XLogP11.09
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds35
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.05
LogP ≤ 511.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

hexadecanoic acid;2-[2-hydroxyethyl(tetracosyl)amino]ethanol
CID 90146253
2-[heptadecyl(2-hydroxyethyl)amino]ethanol;octadecanoic acid
CID 90146098
docosanoic acid;2-[2-hydroxyethyl(tetradecyl)amino]ethanol
CID 158369485
3-[hexyl(2-hydroxyethyl)amino]propanoic acid
CID 82329561
6-[di(tridecyl)amino]hexanoic acid
CID 101314498
4-(didodecylamino)butanoic acid
CID 101313875
6-[(6-decoxy-6-oxohexyl)-(2-hydroxyethyl)amino]hexanoic acid
CID 175430453
8-[(6-decoxy-6-oxohexyl)-(2-hydroxyethyl)amino]octanoic acid
CID 175221133
6-[2-carboxyethyl(2-hydroxyethyl)amino]hexanoic acid
CID 82329589
4-[2-[3-carboxypropyl(dodecyl)amino]ethyl-dodecylamino]butanoic acid
CID 156699856
6-[(4-decoxy-4-oxobutyl)-(2-hydroxyethyl)amino]hexanoic acid
CID 175430422
3-[di(pentadecyl)amino]propanoic acid
CID 101313726

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(icosyl)amino]ethanol;tetradecanoic acid?
The IUPAC name of 2-[2-hydroxyethyl(icosyl)amino]ethanol;tetradecanoic acid (CID 158492988) is 2-[2-hydroxyethyl(icosyl)amino]ethanol;tetradecanoic acid.
What is the SMILES notation for 2-[2-hydroxyethyl(icosyl)amino]ethanol;tetradecanoic acid?
The canonical SMILES for 2-[2-hydroxyethyl(icosyl)amino]ethanol;tetradecanoic acid is CCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCCCCN(CCO)CCO.
What is the InChIKey of 2-[2-hydroxyethyl(icosyl)amino]ethanol;tetradecanoic acid?
The InChIKey is HIXUEVRPLJWKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51NO2.C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(21-23-26)22-24-27;1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h26-27H,2-24H2,1H3;2-13H2,1H3,(H,15,16).
What are the key properties of 2-[2-hydroxyethyl(icosyl)amino]ethanol;tetradecanoic acid?
2-[2-hydroxyethyl(icosyl)amino]ethanol;tetradecanoic acid has a molecular weight of 614.05 g/mol, XLogP of 11.09, 35 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(icosyl)amino]ethanol;tetradecanoic acid is sourced from PubChem (CID 158492988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).