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

C16H30N2O8 — CID 164573309

IUPAC3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanal;1-methoxypyrrolidine-2,5-dione
SMILESCON1C(=O)CCC1=O.NCCOCCOCCOCCOCCC=O
InChIInChI=1S/C11H23NO5.C5H7NO3/c12-2-5-15-7-9-17-11-10-16-8-6-14-4-1-3-13;1-9-6-4(7)2-3-5(6)8/h3H,1-2,4-12H2;2-3H2,1H3
InChIKeyBVRQYMSEEJVHAQ-UHFFFAOYSA-N
MW378.42 g/mol
LogP-0.70
Rot. Bonds15

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

3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanal;1-methoxypyrrolidine-2,5-dione (PubChem CID 164573309) has the molecular formula C16H30N2O8 and a molecular weight of 378.42 g/mol. Its IUPAC name is 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanal;1-methoxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanal;1-methoxypyrrolidine-2,5-dione
PubChem CID164573309
Molecular FormulaC16H30N2O8
Molecular Weight378.42 g/mol
Exact Mass378.20
IUPAC Name3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanal;1-methoxypyrrolidine-2,5-dione
SMILESCON1C(=O)CCC1=O.NCCOCCOCCOCCOCCC=O
InChIInChI=1S/C11H23NO5.C5H7NO3/c12-2-5-15-7-9-17-11-10-16-8-6-14-4-1-3-13;1-9-6-4(7)2-3-5(6)8/h3H,1-2,4-12H2;2-3H2,1H3
InChIKeyBVRQYMSEEJVHAQ-UHFFFAOYSA-N
XLogP-0.70
TPSA126.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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-aminoethoxy)ethoxy]ethoxy]ethoxy]propanal;1-methoxypyrrolidine-2,5-dione?
The IUPAC name of 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanal;1-methoxypyrrolidine-2,5-dione (CID 164573309) is 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanal;1-methoxypyrrolidine-2,5-dione.
What is the SMILES notation for 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanal;1-methoxypyrrolidine-2,5-dione?
The canonical SMILES for 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanal;1-methoxypyrrolidine-2,5-dione is CON1C(=O)CCC1=O.NCCOCCOCCOCCOCCC=O.
What is the InChIKey of 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanal;1-methoxypyrrolidine-2,5-dione?
The InChIKey is BVRQYMSEEJVHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO5.C5H7NO3/c12-2-5-15-7-9-17-11-10-16-8-6-14-4-1-3-13;1-9-6-4(7)2-3-5(6)8/h3H,1-2,4-12H2;2-3H2,1H3.
What are the key properties of 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanal;1-methoxypyrrolidine-2,5-dione?
3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanal;1-methoxypyrrolidine-2,5-dione has a molecular weight of 378.42 g/mol, XLogP of -0.70, 15 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanal;1-methoxypyrrolidine-2,5-dione is sourced from PubChem (CID 164573309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).