3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal;1-methoxypyrrolidine-2,5-dione

C32H62N2O16 — CID 142619626

IUPAC3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal;1-methoxypyrrolidine-2,5-dione
SMILESCON1C(=O)CCC1=O.NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC=O
InChIInChI=1S/C27H55NO13.C5H7NO3/c28-2-5-31-7-9-33-11-13-35-15-17-37-19-21-39-23-25-41-27-26-40-24-22-38-20-18-36-16-14-34-12-10-32-8-6-30-4-1-3-29;1-9-6-4(7)2-3-5(6)8/h3H,1-2,4-28H2;2-3H2,1H3
InChIKeyINXXEWFKQYDVLP-UHFFFAOYSA-N
MW730.85 g/mol
LogP-0.57
Rot. Bonds39

About 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal;1-methoxypyrrolidine-2,5-dione

3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal;1-methoxypyrrolidine-2,5-dione (PubChem CID 142619626) has the molecular formula C32H62N2O16 and a molecular weight of 730.85 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal;1-methoxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal;1-methoxypyrrolidine-2,5-dione
PubChem CID142619626
Molecular FormulaC32H62N2O16
Molecular Weight730.85 g/mol
Exact Mass730.41
IUPAC Name3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal;1-methoxypyrrolidine-2,5-dione
SMILESCON1C(=O)CCC1=O.NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC=O
InChIInChI=1S/C27H55NO13.C5H7NO3/c28-2-5-31-7-9-33-11-13-35-15-17-37-19-21-39-23-25-41-27-26-40-24-22-38-20-18-36-16-14-34-12-10-32-8-6-30-4-1-3-29;1-9-6-4(7)2-3-5(6)8/h3H,1-2,4-28H2;2-3H2,1H3
InChIKeyINXXEWFKQYDVLP-UHFFFAOYSA-N
XLogP-0.57
TPSA200.46 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds39
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.85
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal;1-methoxypyrrolidine-2,5-dione?
The IUPAC name of 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal;1-methoxypyrrolidine-2,5-dione (CID 142619626) is 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal;1-methoxypyrrolidine-2,5-dione.
What is the SMILES notation for 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal;1-methoxypyrrolidine-2,5-dione?
The canonical SMILES for 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal;1-methoxypyrrolidine-2,5-dione is CON1C(=O)CCC1=O.NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC=O.
What is the InChIKey of 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal;1-methoxypyrrolidine-2,5-dione?
The InChIKey is INXXEWFKQYDVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H55NO13.C5H7NO3/c28-2-5-31-7-9-33-11-13-35-15-17-37-19-21-39-23-25-41-27-26-40-24-22-38-20-18-36-16-14-34-12-10-32-8-6-30-4-1-3-29;1-9-6-4(7)2-3-5(6)8/h3H,1-2,4-28H2;2-3H2,1H3.
What are the key properties of 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal;1-methoxypyrrolidine-2,5-dione?
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal;1-methoxypyrrolidine-2,5-dione has a molecular weight of 730.85 g/mol, XLogP of -0.57, 39 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal;1-methoxypyrrolidine-2,5-dione is sourced from PubChem (CID 142619626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).