4-ethyl-N-[2-(3-ethyl-2,5-dioxopyrrolidin-1-yl)ethyl]benzamide

C17H22N2O3 — CID 71181447

IUPAC4-ethyl-N-[2-(3-ethyl-2,5-dioxopyrrolidin-1-yl)ethyl]benzamide
SMILESCCc1ccc(C(=O)NCCN2C(=O)CC(CC)C2=O)cc1
InChIInChI=1S/C17H22N2O3/c1-3-12-5-7-14(8-6-12)16(21)18-9-10-19-15(20)11-13(4-2)17(19)22/h5-8,13H,3-4,9-11H2,1-2H3,(H,18,21)
InChIKeyWIVMPXGLBHOIQL-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.76
Rot. Bonds6

About 4-ethyl-N-[2-(3-ethyl-2,5-dioxopyrrolidin-1-yl)ethyl]benzamide

4-ethyl-N-[2-(3-ethyl-2,5-dioxopyrrolidin-1-yl)ethyl]benzamide (PubChem CID 71181447) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 4-ethyl-N-[2-(3-ethyl-2,5-dioxopyrrolidin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[2-(3-ethyl-2,5-dioxopyrrolidin-1-yl)ethyl]benzamide
PubChem CID71181447
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name4-ethyl-N-[2-(3-ethyl-2,5-dioxopyrrolidin-1-yl)ethyl]benzamide
SMILESCCc1ccc(C(=O)NCCN2C(=O)CC(CC)C2=O)cc1
InChIInChI=1S/C17H22N2O3/c1-3-12-5-7-14(8-6-12)16(21)18-9-10-19-15(20)11-13(4-2)17(19)22/h5-8,13H,3-4,9-11H2,1-2H3,(H,18,21)
InChIKeyWIVMPXGLBHOIQL-UHFFFAOYSA-N
XLogP1.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-N'-[(3R)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 2492862
N-ethyl-3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 126550295
ethane;4-ethyl-N-propylbenzamide
CID 142831348
4-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide;molecular hydrogen;propane
CID 144530441
N-(2-benzamidoethyl)-4-ethylbenzamide
CID 84532761
3-ethyl-1-nonylpyrrolidine-2,5-dione
CID 512846
N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-ethylbenzamide
CID 134039912
4-ethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119499870
4-ethyl-N-[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]benzamide
CID 7839932
N-(2-azidoethyl)-4-ethylbenzamide
CID 55136940
N-(3-amino-3-sulfanylidenepropyl)-4-ethylbenzamide
CID 62668181
4-ethyl-N-(2-phenylethyl)benzamide
CID 11841446

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(3-ethyl-2,5-dioxopyrrolidin-1-yl)ethyl]benzamide?
The IUPAC name of 4-ethyl-N-[2-(3-ethyl-2,5-dioxopyrrolidin-1-yl)ethyl]benzamide (CID 71181447) is 4-ethyl-N-[2-(3-ethyl-2,5-dioxopyrrolidin-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-ethyl-N-[2-(3-ethyl-2,5-dioxopyrrolidin-1-yl)ethyl]benzamide?
The canonical SMILES for 4-ethyl-N-[2-(3-ethyl-2,5-dioxopyrrolidin-1-yl)ethyl]benzamide is CCc1ccc(C(=O)NCCN2C(=O)CC(CC)C2=O)cc1.
What is the InChIKey of 4-ethyl-N-[2-(3-ethyl-2,5-dioxopyrrolidin-1-yl)ethyl]benzamide?
The InChIKey is WIVMPXGLBHOIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-3-12-5-7-14(8-6-12)16(21)18-9-10-19-15(20)11-13(4-2)17(19)22/h5-8,13H,3-4,9-11H2,1-2H3,(H,18,21).
What are the key properties of 4-ethyl-N-[2-(3-ethyl-2,5-dioxopyrrolidin-1-yl)ethyl]benzamide?
4-ethyl-N-[2-(3-ethyl-2,5-dioxopyrrolidin-1-yl)ethyl]benzamide has a molecular weight of 302.37 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(3-ethyl-2,5-dioxopyrrolidin-1-yl)ethyl]benzamide is sourced from PubChem (CID 71181447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).