3-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxyphenyl)benzamide

C19H18N2O4 — CID 2994575

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxyphenyl)benzamide
SMILESCCOc1ccccc1NC(=O)c1cccc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C19H18N2O4/c1-2-25-16-9-4-3-8-15(16)20-19(24)13-6-5-7-14(12-13)21-17(22)10-11-18(21)23/h3-9,12H,2,10-11H2,1H3,(H,20,24)
InChIKeyREEFBYUPYQEVAA-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.99
Rot. Bonds5

About 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxyphenyl)benzamide

3-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxyphenyl)benzamide (PubChem CID 2994575) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxyphenyl)benzamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxyphenyl)benzamide
PubChem CID2994575
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxyphenyl)benzamide
SMILESCCOc1ccccc1NC(=O)c1cccc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C19H18N2O4/c1-2-25-16-9-4-3-8-15(16)20-19(24)13-6-5-7-14(12-13)21-17(22)10-11-18(21)23/h3-9,12H,2,10-11H2,1H3,(H,20,24)
InChIKeyREEFBYUPYQEVAA-UHFFFAOYSA-N
XLogP2.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.99
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 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxyphenyl)benzamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxyphenyl)benzamide (CID 2994575) is 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxyphenyl)benzamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxyphenyl)benzamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxyphenyl)benzamide is CCOc1ccccc1NC(=O)c1cccc(N2C(=O)CCC2=O)c1.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxyphenyl)benzamide?
The InChIKey is REEFBYUPYQEVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-2-25-16-9-4-3-8-15(16)20-19(24)13-6-5-7-14(12-13)21-17(22)10-11-18(21)23/h3-9,12H,2,10-11H2,1H3,(H,20,24).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxyphenyl)benzamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxyphenyl)benzamide has a molecular weight of 338.36 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxyphenyl)benzamide is sourced from PubChem (CID 2994575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).