2-[2-dodecoxyethyl(2-hydroxyethyl)amino]ethyl acetate

C20H41NO4 — CID 150039570

IUPAC2-[2-dodecoxyethyl(2-hydroxyethyl)amino]ethyl acetate
SMILESCCCCCCCCCCCCOCCN(CCO)CCOC(C)=O
InChIInChI=1S/C20H41NO4/c1-3-4-5-6-7-8-9-10-11-12-17-24-18-14-21(13-16-22)15-19-25-20(2)23/h22H,3-19H2,1-2H3
InChIKeyDIZODUOEQNLCIO-UHFFFAOYSA-N
MW359.55 g/mol
LogP3.78
Rot. Bonds19

About 2-[2-dodecoxyethyl(2-hydroxyethyl)amino]ethyl acetate

2-[2-dodecoxyethyl(2-hydroxyethyl)amino]ethyl acetate (PubChem CID 150039570) has the molecular formula C20H41NO4 and a molecular weight of 359.55 g/mol. Its IUPAC name is 2-[2-dodecoxyethyl(2-hydroxyethyl)amino]ethyl acetate.

Molecular Properties

Compound Name2-[2-dodecoxyethyl(2-hydroxyethyl)amino]ethyl acetate
PubChem CID150039570
Molecular FormulaC20H41NO4
Molecular Weight359.55 g/mol
Exact Mass359.30
IUPAC Name2-[2-dodecoxyethyl(2-hydroxyethyl)amino]ethyl acetate
SMILESCCCCCCCCCCCCOCCN(CCO)CCOC(C)=O
InChIInChI=1S/C20H41NO4/c1-3-4-5-6-7-8-9-10-11-12-17-24-18-14-21(13-16-22)15-19-25-20(2)23/h22H,3-19H2,1-2H3
InChIKeyDIZODUOEQNLCIO-UHFFFAOYSA-N
XLogP3.78
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.55
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[dodecyl(2-hydroxyethyl)amino]ethyl acetate
CID 138394684
2-[2-hydroxyethyl(2-octadecoxyethyl)amino]ethanol
CID 57180340
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-(2-decoxyethoxy)ethyl acetate
CID 526732
3-octoxypropyl acetate
CID 21272964
2-[2-[2-butoxyethyl-[2-(2-methoxyethoxy)ethyl]amino]ethoxy]ethyl acetate
CID 130468380
icosyl 3-[2-acetyloxyethyl(2-ethoxyethyl)amino]propanoate
CID 23544954
2-[hexatriacontyl-[2-(2-hydroxyethoxy)ethyl]amino]ethanol
CID 54313523
2-[3-octadecoxypropyl(propyl)amino]ethanol
CID 157484985
pentadecyl 3-[bis(2-acetyloxyethyl)amino]propanoate
CID 13007527

Frequently Asked Questions

What is the IUPAC name of 2-[2-dodecoxyethyl(2-hydroxyethyl)amino]ethyl acetate?
The IUPAC name of 2-[2-dodecoxyethyl(2-hydroxyethyl)amino]ethyl acetate (CID 150039570) is 2-[2-dodecoxyethyl(2-hydroxyethyl)amino]ethyl acetate.
What is the SMILES notation for 2-[2-dodecoxyethyl(2-hydroxyethyl)amino]ethyl acetate?
The canonical SMILES for 2-[2-dodecoxyethyl(2-hydroxyethyl)amino]ethyl acetate is CCCCCCCCCCCCOCCN(CCO)CCOC(C)=O.
What is the InChIKey of 2-[2-dodecoxyethyl(2-hydroxyethyl)amino]ethyl acetate?
The InChIKey is DIZODUOEQNLCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO4/c1-3-4-5-6-7-8-9-10-11-12-17-24-18-14-21(13-16-22)15-19-25-20(2)23/h22H,3-19H2,1-2H3.
What are the key properties of 2-[2-dodecoxyethyl(2-hydroxyethyl)amino]ethyl acetate?
2-[2-dodecoxyethyl(2-hydroxyethyl)amino]ethyl acetate has a molecular weight of 359.55 g/mol, XLogP of 3.78, 19 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-dodecoxyethyl(2-hydroxyethyl)amino]ethyl acetate is sourced from PubChem (CID 150039570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).