N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-2-phenoxyacetamide

C14H16N2O4 — CID 51103037

IUPACN-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-2-phenoxyacetamide
SMILESCCN(C(=O)COc1ccccc1)C1CC(=O)NC1=O
InChIInChI=1S/C14H16N2O4/c1-2-16(11-8-12(17)15-14(11)19)13(18)9-20-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,15,17,19)
InChIKeyFXTONXYMTOZLOC-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.33
Rot. Bonds5

About N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-2-phenoxyacetamide

N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-2-phenoxyacetamide (PubChem CID 51103037) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-2-phenoxyacetamide
PubChem CID51103037
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC NameN-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-2-phenoxyacetamide
SMILESCCN(C(=O)COc1ccccc1)C1CC(=O)NC1=O
InChIInChI=1S/C14H16N2O4/c1-2-16(11-8-12(17)15-14(11)19)13(18)9-20-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,15,17,19)
InChIKeyFXTONXYMTOZLOC-UHFFFAOYSA-N
XLogP0.33
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.33
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 N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-2-phenoxyacetamide?
The IUPAC name of N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-2-phenoxyacetamide (CID 51103037) is N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-2-phenoxyacetamide.
What is the SMILES notation for N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-2-phenoxyacetamide?
The canonical SMILES for N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-2-phenoxyacetamide is CCN(C(=O)COc1ccccc1)C1CC(=O)NC1=O.
What is the InChIKey of N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-2-phenoxyacetamide?
The InChIKey is FXTONXYMTOZLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-2-16(11-8-12(17)15-14(11)19)13(18)9-20-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,15,17,19).
What are the key properties of N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-2-phenoxyacetamide?
N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-2-phenoxyacetamide has a molecular weight of 276.29 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-2-phenoxyacetamide is sourced from PubChem (CID 51103037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).