methyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3,5-bis(hydroxymethyl)-N-methylanilino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

C37H67NO16 — CID 68633754

IUPACmethyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3,5-bis(hydroxymethyl)-N-methylanilino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
SMILESCOC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN(C)c1cc(CO)cc(CO)c1
InChIInChI=1S/C37H67NO16/c1-38(36-30-34(32-39)29-35(31-36)33-40)4-6-44-8-10-46-12-14-48-16-18-50-20-22-52-24-26-54-28-27-53-25-23-51-21-19-49-17-15-47-13-11-45-9-7-43-5-3-37(41)42-2/h29-31,39-40H,3-28,32-33H2,1-2H3
InChIKeyPJYUGJXYKXFDLZ-UHFFFAOYSA-N
MW781.93 g/mol
LogP0.87
Rot. Bonds42

About methyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3,5-bis(hydroxymethyl)-N-methylanilino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

methyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3,5-bis(hydroxymethyl)-N-methylanilino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate (PubChem CID 68633754) has the molecular formula C37H67NO16 and a molecular weight of 781.93 g/mol. Its IUPAC name is methyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3,5-bis(hydroxymethyl)-N-methylanilino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3,5-bis(hydroxymethyl)-N-methylanilino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
PubChem CID68633754
Molecular FormulaC37H67NO16
Molecular Weight781.93 g/mol
Exact Mass781.45
IUPAC Namemethyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3,5-bis(hydroxymethyl)-N-methylanilino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
SMILESCOC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN(C)c1cc(CO)cc(CO)c1
InChIInChI=1S/C37H67NO16/c1-38(36-30-34(32-39)29-35(31-36)33-40)4-6-44-8-10-46-12-14-48-16-18-50-20-22-52-24-26-54-28-27-53-25-23-51-21-19-49-17-15-47-13-11-45-9-7-43-5-3-37(41)42-2/h29-31,39-40H,3-28,32-33H2,1-2H3
InChIKeyPJYUGJXYKXFDLZ-UHFFFAOYSA-N
XLogP0.87
TPSA180.76 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds42
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.93
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze methyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3,5-bis(hydroxymethyl)-N-methylanilino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3,5-bis(hydroxymethyl)-N-methylanilino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?
The IUPAC name of methyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3,5-bis(hydroxymethyl)-N-methylanilino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate (CID 68633754) is methyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3,5-bis(hydroxymethyl)-N-methylanilino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate.
What is the SMILES notation for methyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3,5-bis(hydroxymethyl)-N-methylanilino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?
The canonical SMILES for methyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3,5-bis(hydroxymethyl)-N-methylanilino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate is COC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN(C)c1cc(CO)cc(CO)c1.
What is the InChIKey of methyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3,5-bis(hydroxymethyl)-N-methylanilino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?
The InChIKey is PJYUGJXYKXFDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H67NO16/c1-38(36-30-34(32-39)29-35(31-36)33-40)4-6-44-8-10-46-12-14-48-16-18-50-20-22-52-24-26-54-28-27-53-25-23-51-21-19-49-17-15-47-13-11-45-9-7-43-5-3-37(41)42-2/h29-31,39-40H,3-28,32-33H2,1-2H3.
What are the key properties of methyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3,5-bis(hydroxymethyl)-N-methylanilino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate?
methyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3,5-bis(hydroxymethyl)-N-methylanilino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate has a molecular weight of 781.93 g/mol, XLogP of 0.87, 42 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3,5-bis(hydroxymethyl)-N-methylanilino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate is sourced from PubChem (CID 68633754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).