4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1,4-diphenylbutyl)benzamide

C28H28N2O3 — CID 24552366

IUPAC4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1,4-diphenylbutyl)benzamide
SMILESO=C(NC(CCCc1ccccc1)c1ccccc1)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C28H28N2O3/c31-26-18-19-27(32)30(26)20-22-14-16-24(17-15-22)28(33)29-25(23-11-5-2-6-12-23)13-7-10-21-8-3-1-4-9-21/h1-6,8-9,11-12,14-17,25H,7,10,13,18-20H2,(H,29,33)
InChIKeyRARBLLKTZHOFTD-UHFFFAOYSA-N
MW440.54 g/mol
LogP4.83
Rot. Bonds9

About 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1,4-diphenylbutyl)benzamide

4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1,4-diphenylbutyl)benzamide (PubChem CID 24552366) has the molecular formula C28H28N2O3 and a molecular weight of 440.54 g/mol. Its IUPAC name is 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1,4-diphenylbutyl)benzamide.

Molecular Properties

Compound Name4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1,4-diphenylbutyl)benzamide
PubChem CID24552366
Molecular FormulaC28H28N2O3
Molecular Weight440.54 g/mol
Exact Mass440.21
IUPAC Name4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1,4-diphenylbutyl)benzamide
SMILESO=C(NC(CCCc1ccccc1)c1ccccc1)c1ccc(CN2C(=O)CCC2=O)cc1
InChIInChI=1S/C28H28N2O3/c31-26-18-19-27(32)30(26)20-22-14-16-24(17-15-22)28(33)29-25(23-11-5-2-6-12-23)13-7-10-21-8-3-1-4-9-21/h1-6,8-9,11-12,14-17,25H,7,10,13,18-20H2,(H,29,33)
InChIKeyRARBLLKTZHOFTD-UHFFFAOYSA-N
XLogP4.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1,4-diphenylbutyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,4-diphenylbutyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 24655734
N-[1-(4-chlorophenyl)propyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 17467880
2-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoyl]amino]-4-methylpentanoic acid
CID 119188265
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 26008402
N-[3-[3-(2,5-dioxopyrrolidin-1-yl)propylamino]-3-oxo-1-phenylpropyl]benzamide
CID 56558590
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 25496336
N-[2-(dimethylamino)-1-phenylethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 24504344
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 8937962
[2-oxo-2-(1-phenylethylamino)ethyl] 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate
CID 18195697
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(3-methylbutyl)benzamide
CID 51195030
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[2-(4-hydroxyphenyl)ethyl]benzamide
CID 71890893
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 55395964

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1,4-diphenylbutyl)benzamide?
The IUPAC name of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1,4-diphenylbutyl)benzamide (CID 24552366) is 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1,4-diphenylbutyl)benzamide.
What is the SMILES notation for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1,4-diphenylbutyl)benzamide?
The canonical SMILES for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1,4-diphenylbutyl)benzamide is O=C(NC(CCCc1ccccc1)c1ccccc1)c1ccc(CN2C(=O)CCC2=O)cc1.
What is the InChIKey of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1,4-diphenylbutyl)benzamide?
The InChIKey is RARBLLKTZHOFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O3/c31-26-18-19-27(32)30(26)20-22-14-16-24(17-15-22)28(33)29-25(23-11-5-2-6-12-23)13-7-10-21-8-3-1-4-9-21/h1-6,8-9,11-12,14-17,25H,7,10,13,18-20H2,(H,29,33).
What are the key properties of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1,4-diphenylbutyl)benzamide?
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1,4-diphenylbutyl)benzamide has a molecular weight of 440.54 g/mol, XLogP of 4.83, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1,4-diphenylbutyl)benzamide is sourced from PubChem (CID 24552366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).