methyl 2-[[2-[2-[3-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]-2,2-bis[2-[2-(2-methoxyethylamino)ethoxy]ethoxymethyl]propoxy]ethoxy]acetyl]amino]acetate

C33H68N4O14 — CID 160862019

IUPACmethyl 2-[[2-[2-[3-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]-2,2-bis[2-[2-(2-methoxyethylamino)ethoxy]ethoxymethyl]propoxy]ethoxy]acetyl]amino]acetate
SMILESCOCCNCCOCCOCC(COCCOCCNCCOC)(COCCOCCNCCOC)COCCOCC(=O)NCC(=O)OC
InChIInChI=1S/C33H68N4O14/c1-40-11-5-34-8-14-44-17-21-48-27-33(28-49-22-18-45-15-9-35-6-12-41-2,29-50-23-19-46-16-10-36-7-13-42-3)30-51-24-20-47-26-31(38)37-25-32(39)43-4/h34-36H,5-30H2,1-4H3,(H,37,38)
InChIKeyOJEKLRWOOZFIGO-UHFFFAOYSA-N
MW744.92 g/mol
LogP-1.90
Rot. Bonds42

About methyl 2-[[2-[2-[3-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]-2,2-bis[2-[2-(2-methoxyethylamino)ethoxy]ethoxymethyl]propoxy]ethoxy]acetyl]amino]acetate

methyl 2-[[2-[2-[3-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]-2,2-bis[2-[2-(2-methoxyethylamino)ethoxy]ethoxymethyl]propoxy]ethoxy]acetyl]amino]acetate (PubChem CID 160862019) has the molecular formula C33H68N4O14 and a molecular weight of 744.92 g/mol. Its IUPAC name is methyl 2-[[2-[2-[3-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]-2,2-bis[2-[2-(2-methoxyethylamino)ethoxy]ethoxymethyl]propoxy]ethoxy]acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[2-[3-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]-2,2-bis[2-[2-(2-methoxyethylamino)ethoxy]ethoxymethyl]propoxy]ethoxy]acetyl]amino]acetate
PubChem CID160862019
Molecular FormulaC33H68N4O14
Molecular Weight744.92 g/mol
Exact Mass744.47
IUPAC Namemethyl 2-[[2-[2-[3-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]-2,2-bis[2-[2-(2-methoxyethylamino)ethoxy]ethoxymethyl]propoxy]ethoxy]acetyl]amino]acetate
SMILESCOCCNCCOCCOCC(COCCOCCNCCOC)(COCCOCCNCCOC)COCCOCC(=O)NCC(=O)OC
InChIInChI=1S/C33H68N4O14/c1-40-11-5-34-8-14-44-17-21-48-27-33(28-49-22-18-45-15-9-35-6-12-41-2,29-50-23-19-46-16-10-36-7-13-42-3)30-51-24-20-47-26-31(38)37-25-32(39)43-4/h34-36H,5-30H2,1-4H3,(H,37,38)
InChIKeyOJEKLRWOOZFIGO-UHFFFAOYSA-N
XLogP-1.90
TPSA193.02 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds42
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.92
LogP ≤ 5-1.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze methyl 2-[[2-[2-[3-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]-2,2-bis[2-[2-(2-methoxyethylamino)ethoxy]ethoxymethyl]propoxy]ethoxy]acetyl]amino]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[2-[3-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]-2,2-bis[2-[2-(2-methoxyethylamino)ethoxy]ethoxymethyl]propoxy]ethoxy]acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-[2-[3-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]-2,2-bis[2-[2-(2-methoxyethylamino)ethoxy]ethoxymethyl]propoxy]ethoxy]acetyl]amino]acetate (CID 160862019) is methyl 2-[[2-[2-[3-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]-2,2-bis[2-[2-(2-methoxyethylamino)ethoxy]ethoxymethyl]propoxy]ethoxy]acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-[2-[3-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]-2,2-bis[2-[2-(2-methoxyethylamino)ethoxy]ethoxymethyl]propoxy]ethoxy]acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-[2-[3-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]-2,2-bis[2-[2-(2-methoxyethylamino)ethoxy]ethoxymethyl]propoxy]ethoxy]acetyl]amino]acetate is COCCNCCOCCOCC(COCCOCCNCCOC)(COCCOCCNCCOC)COCCOCC(=O)NCC(=O)OC.
What is the InChIKey of methyl 2-[[2-[2-[3-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]-2,2-bis[2-[2-(2-methoxyethylamino)ethoxy]ethoxymethyl]propoxy]ethoxy]acetyl]amino]acetate?
The InChIKey is OJEKLRWOOZFIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H68N4O14/c1-40-11-5-34-8-14-44-17-21-48-27-33(28-49-22-18-45-15-9-35-6-12-41-2,29-50-23-19-46-16-10-36-7-13-42-3)30-51-24-20-47-26-31(38)37-25-32(39)43-4/h34-36H,5-30H2,1-4H3,(H,37,38).
What are the key properties of methyl 2-[[2-[2-[3-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]-2,2-bis[2-[2-(2-methoxyethylamino)ethoxy]ethoxymethyl]propoxy]ethoxy]acetyl]amino]acetate?
methyl 2-[[2-[2-[3-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]-2,2-bis[2-[2-(2-methoxyethylamino)ethoxy]ethoxymethyl]propoxy]ethoxy]acetyl]amino]acetate has a molecular weight of 744.92 g/mol, XLogP of -1.90, 42 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[2-[3-[2-[2-(2-methoxyethylamino)ethoxy]ethoxy]-2,2-bis[2-[2-(2-methoxyethylamino)ethoxy]ethoxymethyl]propoxy]ethoxy]acetyl]amino]acetate is sourced from PubChem (CID 160862019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).