2-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide

C12H19N3O4 — CID 9373127

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide
SMILESCCNC(=O)CN(CC)C(=O)CN1C(=O)CCC1=O
InChIInChI=1S/C12H19N3O4/c1-3-13-9(16)7-14(4-2)12(19)8-15-10(17)5-6-11(15)18/h3-8H2,1-2H3,(H,13,16)
InChIKeyVPSGNNWGGDLHKP-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.88
Rot. Bonds6

About 2-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide

2-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide (PubChem CID 9373127) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide
PubChem CID9373127
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide
SMILESCCNC(=O)CN(CC)C(=O)CN1C(=O)CCC1=O
InChIInChI=1S/C12H19N3O4/c1-3-13-9(16)7-14(4-2)12(19)8-15-10(17)5-6-11(15)18/h3-8H2,1-2H3,(H,13,16)
InChIKeyVPSGNNWGGDLHKP-UHFFFAOYSA-N
XLogP-0.88
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide (CID 9373127) is 2-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide is CCNC(=O)CN(CC)C(=O)CN1C(=O)CCC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide?
The InChIKey is VPSGNNWGGDLHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-3-13-9(16)7-14(4-2)12(19)8-15-10(17)5-6-11(15)18/h3-8H2,1-2H3,(H,13,16).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide?
2-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide has a molecular weight of 269.30 g/mol, XLogP of -0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 9373127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).