2-ethoxy-N-[1-[3-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanoylamino]ethyl]propanamide

C15H26N4O5 — CID 89425548

IUPAC2-ethoxy-N-[1-[3-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanoylamino]ethyl]propanamide
SMILESCCOC(C)C(=O)NC(C)NC(=O)CCN1C(=O)CC(NC)C1=O
InChIInChI=1S/C15H26N4O5/c1-5-24-9(2)14(22)18-10(3)17-12(20)6-7-19-13(21)8-11(16-4)15(19)23/h9-11,16H,5-8H2,1-4H3,(H,17,20)(H,18,22)
InChIKeyJTKOZZNYZOMFBY-UHFFFAOYSA-N
MW342.40 g/mol
LogP-1.27
Rot. Bonds9

About 2-ethoxy-N-[1-[3-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanoylamino]ethyl]propanamide

2-ethoxy-N-[1-[3-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanoylamino]ethyl]propanamide (PubChem CID 89425548) has the molecular formula C15H26N4O5 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-ethoxy-N-[1-[3-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanoylamino]ethyl]propanamide.

Molecular Properties

Compound Name2-ethoxy-N-[1-[3-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanoylamino]ethyl]propanamide
PubChem CID89425548
Molecular FormulaC15H26N4O5
Molecular Weight342.40 g/mol
Exact Mass342.19
IUPAC Name2-ethoxy-N-[1-[3-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanoylamino]ethyl]propanamide
SMILESCCOC(C)C(=O)NC(C)NC(=O)CCN1C(=O)CC(NC)C1=O
InChIInChI=1S/C15H26N4O5/c1-5-24-9(2)14(22)18-10(3)17-12(20)6-7-19-13(21)8-11(16-4)15(19)23/h9-11,16H,5-8H2,1-4H3,(H,17,20)(H,18,22)
InChIKeyJTKOZZNYZOMFBY-UHFFFAOYSA-N
XLogP-1.27
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[1-[3-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanoylamino]ethyl]propanamide?
The IUPAC name of 2-ethoxy-N-[1-[3-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanoylamino]ethyl]propanamide (CID 89425548) is 2-ethoxy-N-[1-[3-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanoylamino]ethyl]propanamide.
What is the SMILES notation for 2-ethoxy-N-[1-[3-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanoylamino]ethyl]propanamide?
The canonical SMILES for 2-ethoxy-N-[1-[3-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanoylamino]ethyl]propanamide is CCOC(C)C(=O)NC(C)NC(=O)CCN1C(=O)CC(NC)C1=O.
What is the InChIKey of 2-ethoxy-N-[1-[3-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanoylamino]ethyl]propanamide?
The InChIKey is JTKOZZNYZOMFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O5/c1-5-24-9(2)14(22)18-10(3)17-12(20)6-7-19-13(21)8-11(16-4)15(19)23/h9-11,16H,5-8H2,1-4H3,(H,17,20)(H,18,22).
What are the key properties of 2-ethoxy-N-[1-[3-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanoylamino]ethyl]propanamide?
2-ethoxy-N-[1-[3-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanoylamino]ethyl]propanamide has a molecular weight of 342.40 g/mol, XLogP of -1.27, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[1-[3-[3-(methylamino)-2,5-dioxopyrrolidin-1-yl]propanoylamino]ethyl]propanamide is sourced from PubChem (CID 89425548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).