2-[2-acetyloxyethyl-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]ethyl acetate

C14H20N2O6 — CID 20740598

IUPAC2-[2-acetyloxyethyl-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]ethyl acetate
SMILESCC(=O)OCCN(CCOC(C)=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C14H20N2O6/c1-11(17)21-9-7-15(8-10-22-12(2)18)5-6-16-13(19)3-4-14(16)20/h3-4H,5-10H2,1-2H3
InChIKeyAYBOOJOYLXUEBA-UHFFFAOYSA-N
MW312.32 g/mol
LogP-0.66
Rot. Bonds9

About 2-[2-acetyloxyethyl-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]ethyl acetate

2-[2-acetyloxyethyl-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]ethyl acetate (PubChem CID 20740598) has the molecular formula C14H20N2O6 and a molecular weight of 312.32 g/mol. Its IUPAC name is 2-[2-acetyloxyethyl-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]ethyl acetate.

Molecular Properties

Compound Name2-[2-acetyloxyethyl-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]ethyl acetate
PubChem CID20740598
Molecular FormulaC14H20N2O6
Molecular Weight312.32 g/mol
Exact Mass312.13
IUPAC Name2-[2-acetyloxyethyl-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]ethyl acetate
SMILESCC(=O)OCCN(CCOC(C)=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C14H20N2O6/c1-11(17)21-9-7-15(8-10-22-12(2)18)5-6-16-13(19)3-4-14(16)20/h3-4H,5-10H2,1-2H3
InChIKeyAYBOOJOYLXUEBA-UHFFFAOYSA-N
XLogP-0.66
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 5-0.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-acetyloxyethyl-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]ethyl acetate?
The IUPAC name of 2-[2-acetyloxyethyl-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]ethyl acetate (CID 20740598) is 2-[2-acetyloxyethyl-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]ethyl acetate.
What is the SMILES notation for 2-[2-acetyloxyethyl-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]ethyl acetate?
The canonical SMILES for 2-[2-acetyloxyethyl-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]ethyl acetate is CC(=O)OCCN(CCOC(C)=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 2-[2-acetyloxyethyl-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]ethyl acetate?
The InChIKey is AYBOOJOYLXUEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O6/c1-11(17)21-9-7-15(8-10-22-12(2)18)5-6-16-13(19)3-4-14(16)20/h3-4H,5-10H2,1-2H3.
What are the key properties of 2-[2-acetyloxyethyl-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]ethyl acetate?
2-[2-acetyloxyethyl-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]ethyl acetate has a molecular weight of 312.32 g/mol, XLogP of -0.66, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-acetyloxyethyl-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]ethyl acetate is sourced from PubChem (CID 20740598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).