2-[3-dodecoxypropyl-[2-(2-hydroxyethoxy)ethyl]amino]ethanol

C21H45NO4 — CID 3020326

IUPAC2-[3-dodecoxypropyl-[2-(2-hydroxyethoxy)ethyl]amino]ethanol
SMILESCCCCCCCCCCCCOCCCN(CCO)CCOCCO
InChIInChI=1S/C21H45NO4/c1-2-3-4-5-6-7-8-9-10-11-18-25-19-12-13-22(14-16-23)15-20-26-21-17-24/h23-24H,2-21H2,1H3
InChIKeyKKUDUPMJXGXXKK-UHFFFAOYSA-N
MW375.59 g/mol
LogP3.62
Rot. Bonds22

About 2-[3-dodecoxypropyl-[2-(2-hydroxyethoxy)ethyl]amino]ethanol

2-[3-dodecoxypropyl-[2-(2-hydroxyethoxy)ethyl]amino]ethanol (PubChem CID 3020326) has the molecular formula C21H45NO4 and a molecular weight of 375.59 g/mol. Its IUPAC name is 2-[3-dodecoxypropyl-[2-(2-hydroxyethoxy)ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[3-dodecoxypropyl-[2-(2-hydroxyethoxy)ethyl]amino]ethanol
PubChem CID3020326
Molecular FormulaC21H45NO4
Molecular Weight375.59 g/mol
Exact Mass375.33
IUPAC Name2-[3-dodecoxypropyl-[2-(2-hydroxyethoxy)ethyl]amino]ethanol
SMILESCCCCCCCCCCCCOCCCN(CCO)CCOCCO
InChIInChI=1S/C21H45NO4/c1-2-3-4-5-6-7-8-9-10-11-18-25-19-12-13-22(14-16-23)15-20-26-21-17-24/h23-24H,2-21H2,1H3
InChIKeyKKUDUPMJXGXXKK-UHFFFAOYSA-N
XLogP3.62
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds22
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.59
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[hexatriacontyl-[2-(2-hydroxyethoxy)ethyl]amino]ethanol
CID 54313523
2-[2-hydroxyethyl(2-octadecoxyethyl)amino]ethanol
CID 57180340
2-[2-hydroxyethyl(3-undecoxypropyl)amino]ethanol
CID 71328174
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
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-[2-[3-[dodecyl-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 59297407
2-[3-octadecoxypropyl(propyl)amino]ethanol
CID 157484985
2-[6-heptoxyhexyl(heptyl)amino]ethanol
CID 167511093
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[dodecyl-[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]ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102050774
2-[2-butoxyethyl(butyl)amino]ethanol
CID 62016788
3-[3-hydroxypropyl(3-octadecoxypropyl)amino]propan-1-ol
CID 14389695
2-[2-[2-[2-[butyl-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]ethanol
CID 134252023

Frequently Asked Questions

What is the IUPAC name of 2-[3-dodecoxypropyl-[2-(2-hydroxyethoxy)ethyl]amino]ethanol?
The IUPAC name of 2-[3-dodecoxypropyl-[2-(2-hydroxyethoxy)ethyl]amino]ethanol (CID 3020326) is 2-[3-dodecoxypropyl-[2-(2-hydroxyethoxy)ethyl]amino]ethanol.
What is the SMILES notation for 2-[3-dodecoxypropyl-[2-(2-hydroxyethoxy)ethyl]amino]ethanol?
The canonical SMILES for 2-[3-dodecoxypropyl-[2-(2-hydroxyethoxy)ethyl]amino]ethanol is CCCCCCCCCCCCOCCCN(CCO)CCOCCO.
What is the InChIKey of 2-[3-dodecoxypropyl-[2-(2-hydroxyethoxy)ethyl]amino]ethanol?
The InChIKey is KKUDUPMJXGXXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45NO4/c1-2-3-4-5-6-7-8-9-10-11-18-25-19-12-13-22(14-16-23)15-20-26-21-17-24/h23-24H,2-21H2,1H3.
What are the key properties of 2-[3-dodecoxypropyl-[2-(2-hydroxyethoxy)ethyl]amino]ethanol?
2-[3-dodecoxypropyl-[2-(2-hydroxyethoxy)ethyl]amino]ethanol has a molecular weight of 375.59 g/mol, XLogP of 3.62, 22 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-dodecoxypropyl-[2-(2-hydroxyethoxy)ethyl]amino]ethanol is sourced from PubChem (CID 3020326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).