2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2-(tridecylamino)acetate

C23H47NO6 — CID 175685020

IUPAC2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2-(tridecylamino)acetate
SMILESCCCCCCCCCCCCCNCC(=O)OCCOCCOCCOCCO
InChIInChI=1S/C23H47NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-24-22-23(26)30-21-20-29-19-18-28-17-16-27-15-14-25/h24-25H,2-22H2,1H3
InChIKeyGLKXDMNCLWTTJT-UHFFFAOYSA-N
MW433.63 g/mol
LogP3.47
Rot. Bonds25

About 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2-(tridecylamino)acetate

2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2-(tridecylamino)acetate (PubChem CID 175685020) has the molecular formula C23H47NO6 and a molecular weight of 433.63 g/mol. Its IUPAC name is 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2-(tridecylamino)acetate.

Molecular Properties

Compound Name2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2-(tridecylamino)acetate
PubChem CID175685020
Molecular FormulaC23H47NO6
Molecular Weight433.63 g/mol
Exact Mass433.34
IUPAC Name2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2-(tridecylamino)acetate
SMILESCCCCCCCCCCCCCNCC(=O)OCCOCCOCCOCCO
InChIInChI=1S/C23H47NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-24-22-23(26)30-21-20-29-19-18-28-17-16-27-15-14-25/h24-25H,2-22H2,1H3
InChIKeyGLKXDMNCLWTTJT-UHFFFAOYSA-N
XLogP3.47
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds25
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.63
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

butyl 2-(octylamino)acetate
CID 115567498
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl nonanoate
CID 139594206
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]ethyl nonanoate
CID 139595493
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]ethyl decanoate
CID 139595421
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]ethyl decanoate
CID 139596714
2-[2-(2-hydroxyethoxy)ethoxy]ethyl icosanoate
CID 176892143
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hexadecanoate
CID 139595451
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(hexadecylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 101188232
2-(2-hydroxyethoxy)ethyl N-octadecylcarbamate
CID 14782678
2-[2-(dodecylamino)ethoxy]ethanol
CID 4546884
2-[2-(heptylamino)ethoxy]ethanol
CID 4712323
propyl 2-(butylamino)acetate
CID 118604269

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2-(tridecylamino)acetate?
The IUPAC name of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2-(tridecylamino)acetate (CID 175685020) is 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2-(tridecylamino)acetate.
What is the SMILES notation for 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2-(tridecylamino)acetate?
The canonical SMILES for 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2-(tridecylamino)acetate is CCCCCCCCCCCCCNCC(=O)OCCOCCOCCOCCO.
What is the InChIKey of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2-(tridecylamino)acetate?
The InChIKey is GLKXDMNCLWTTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-24-22-23(26)30-21-20-29-19-18-28-17-16-27-15-14-25/h24-25H,2-22H2,1H3.
What are the key properties of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2-(tridecylamino)acetate?
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2-(tridecylamino)acetate has a molecular weight of 433.63 g/mol, XLogP of 3.47, 25 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2-(tridecylamino)acetate is sourced from PubChem (CID 175685020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).