1-[2-hexadecoxyethyl(1-hydroxyethyl)amino]ethanol

C22H47NO3 — CID 57295558

IUPAC1-[2-hexadecoxyethyl(1-hydroxyethyl)amino]ethanol
SMILESCCCCCCCCCCCCCCCCOCCN(C(C)O)C(C)O
InChIInChI=1S/C22H47NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-26-20-18-23(21(2)24)22(3)25/h21-22,24-25H,4-20H2,1-3H3
InChIKeyUUPHHOFMXDABNU-UHFFFAOYSA-N
MW373.62 g/mol
LogP5.46
Rot. Bonds20

About 1-[2-hexadecoxyethyl(1-hydroxyethyl)amino]ethanol

1-[2-hexadecoxyethyl(1-hydroxyethyl)amino]ethanol (PubChem CID 57295558) has the molecular formula C22H47NO3 and a molecular weight of 373.62 g/mol. Its IUPAC name is 1-[2-hexadecoxyethyl(1-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name1-[2-hexadecoxyethyl(1-hydroxyethyl)amino]ethanol
PubChem CID57295558
Molecular FormulaC22H47NO3
Molecular Weight373.62 g/mol
Exact Mass373.36
IUPAC Name1-[2-hexadecoxyethyl(1-hydroxyethyl)amino]ethanol
SMILESCCCCCCCCCCCCCCCCOCCN(C(C)O)C(C)O
InChIInChI=1S/C22H47NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-26-20-18-23(21(2)24)22(3)25/h21-22,24-25H,4-20H2,1-3H3
InChIKeyUUPHHOFMXDABNU-UHFFFAOYSA-N
XLogP5.46
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.62
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[3-ethoxypropyl(1-hydroxyethyl)amino]ethanol
CID 57226241
hypochlorous acid;2-octoxy-N,N-bis(2-octoxyethyl)ethanamine
CID 88657815
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156
1-dodecoxyhexadecane
CID 22256973
1-decoxydocosane
CID 87077677
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-hexadecoxyhexadecane;bis(propane-1,2,3-triol)
CID 18958593
1-octadecoxyoctadecane;propane-1,2,3-triol
CID 22182873

Frequently Asked Questions

What is the IUPAC name of 1-[2-hexadecoxyethyl(1-hydroxyethyl)amino]ethanol?
The IUPAC name of 1-[2-hexadecoxyethyl(1-hydroxyethyl)amino]ethanol (CID 57295558) is 1-[2-hexadecoxyethyl(1-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 1-[2-hexadecoxyethyl(1-hydroxyethyl)amino]ethanol?
The canonical SMILES for 1-[2-hexadecoxyethyl(1-hydroxyethyl)amino]ethanol is CCCCCCCCCCCCCCCCOCCN(C(C)O)C(C)O.
What is the InChIKey of 1-[2-hexadecoxyethyl(1-hydroxyethyl)amino]ethanol?
The InChIKey is UUPHHOFMXDABNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-26-20-18-23(21(2)24)22(3)25/h21-22,24-25H,4-20H2,1-3H3.
What are the key properties of 1-[2-hexadecoxyethyl(1-hydroxyethyl)amino]ethanol?
1-[2-hexadecoxyethyl(1-hydroxyethyl)amino]ethanol has a molecular weight of 373.62 g/mol, XLogP of 5.46, 20 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hexadecoxyethyl(1-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 57295558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).