N-cyclopropyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide

C17H20N2O4 — CID 23942969

IUPACN-cyclopropyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
SMILESCCOc1ccc(N2C(=O)CC(N(C(C)=O)C3CC3)C2=O)cc1
InChIInChI=1S/C17H20N2O4/c1-3-23-14-8-6-13(7-9-14)19-16(21)10-15(17(19)22)18(11(2)20)12-4-5-12/h6-9,12,15H,3-5,10H2,1-2H3
InChIKeyJXFMGUNRYLOXGS-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.73
Rot. Bonds5

About N-cyclopropyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide

N-cyclopropyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide (PubChem CID 23942969) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
PubChem CID23942969
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC NameN-cyclopropyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
SMILESCCOc1ccc(N2C(=O)CC(N(C(C)=O)C3CC3)C2=O)cc1
InChIInChI=1S/C17H20N2O4/c1-3-23-14-8-6-13(7-9-14)19-16(21)10-15(17(19)22)18(11(2)20)12-4-5-12/h6-9,12,15H,3-5,10H2,1-2H3
InChIKeyJXFMGUNRYLOXGS-UHFFFAOYSA-N
XLogP1.73
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.73
H-Bond Donors ≤ 50
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-cyclopropyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide?
The IUPAC name of N-cyclopropyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide (CID 23942969) is N-cyclopropyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide is CCOc1ccc(N2C(=O)CC(N(C(C)=O)C3CC3)C2=O)cc1.
What is the InChIKey of N-cyclopropyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide?
The InChIKey is JXFMGUNRYLOXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-3-23-14-8-6-13(7-9-14)19-16(21)10-15(17(19)22)18(11(2)20)12-4-5-12/h6-9,12,15H,3-5,10H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide?
N-cyclopropyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide has a molecular weight of 316.36 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 23942969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).