2-[3-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl 2-methylprop-2-enoate

C26H49NO12 — CID 59511018

IUPAC2-[3-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOC
InChIInChI=1S/C26H49NO12/c1-24(2)26(29)39-7-5-27-25(28)4-6-31-10-11-33-14-15-35-18-19-37-22-23-38-21-20-36-17-16-34-13-12-32-9-8-30-3/h1,4-23H2,2-3H3,(H,27,28)
InChIKeyQOWDRNPTETWTIO-UHFFFAOYSA-N
MW567.67 g/mol
LogP0.39
Rot. Bonds31

About 2-[3-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl 2-methylprop-2-enoate

2-[3-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl 2-methylprop-2-enoate (PubChem CID 59511018) has the molecular formula C26H49NO12 and a molecular weight of 567.67 g/mol. Its IUPAC name is 2-[3-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[3-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl 2-methylprop-2-enoate
PubChem CID59511018
Molecular FormulaC26H49NO12
Molecular Weight567.67 g/mol
Exact Mass567.33
IUPAC Name2-[3-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOC
InChIInChI=1S/C26H49NO12/c1-24(2)26(29)39-7-5-27-25(28)4-6-31-10-11-33-14-15-35-18-19-37-22-23-38-21-20-36-17-16-34-13-12-32-9-8-30-3/h1,4-23H2,2-3H3,(H,27,28)
InChIKeyQOWDRNPTETWTIO-UHFFFAOYSA-N
XLogP0.39
TPSA138.47 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds31
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.67
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[3-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl 2-methylprop-2-enoate (CID 59511018) is 2-[3-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[3-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[3-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOC.
What is the InChIKey of 2-[3-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is QOWDRNPTETWTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H49NO12/c1-24(2)26(29)39-7-5-27-25(28)4-6-31-10-11-33-14-15-35-18-19-37-22-23-38-21-20-36-17-16-34-13-12-32-9-8-30-3/h1,4-23H2,2-3H3,(H,27,28).
What are the key properties of 2-[3-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl 2-methylprop-2-enoate?
2-[3-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 567.67 g/mol, XLogP of 0.39, 31 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 59511018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).