N-(5-acetyl-2-methylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide

C21H20N2O4 — CID 110604119

IUPACN-(5-acetyl-2-methylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
SMILESCC(=O)c1ccc(C)c(NC(=O)CCCN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C21H20N2O4/c1-13-9-10-15(14(2)24)12-18(13)22-19(25)8-5-11-23-20(26)16-6-3-4-7-17(16)21(23)27/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,22,25)
InChIKeyURQBEVLZUXASEE-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.21
Rot. Bonds6

About N-(5-acetyl-2-methylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide

N-(5-acetyl-2-methylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide (PubChem CID 110604119) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-(5-acetyl-2-methylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide.

Molecular Properties

Compound NameN-(5-acetyl-2-methylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
PubChem CID110604119
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC NameN-(5-acetyl-2-methylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
SMILESCC(=O)c1ccc(C)c(NC(=O)CCCN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C21H20N2O4/c1-13-9-10-15(14(2)24)12-18(13)22-19(25)8-5-11-23-20(26)16-6-3-4-7-17(16)21(23)27/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,22,25)
InChIKeyURQBEVLZUXASEE-UHFFFAOYSA-N
XLogP3.21
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(5-acetyl-2-methylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide 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-(2,5-dimethylphenyl)-6-(1,3-dioxoisoindol-2-yl)hexanamide
CID 3354455
3-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]-4-methylbenzoic acid
CID 1250549
N-(4-acetylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 2303121
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 9363349
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 55895252
4-chloro-N-[2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]benzamide
CID 55677974
3-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]benzoic acid
CID 1238428
N-(2-acetamidoethyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 110756142
3-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-5-piperidin-1-ylphenyl)propanamide
CID 110362187
dimethyl 5-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]benzene-1,3-dicarboxylate
CID 2682990
N-(2-aminophenyl)-5-(1,3-dioxoisoindol-2-yl)pentanamide
CID 58982081
N-(4-chloro-2-methylphenyl)-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide
CID 7914697

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-methylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide?
The IUPAC name of N-(5-acetyl-2-methylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide (CID 110604119) is N-(5-acetyl-2-methylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide.
What is the SMILES notation for N-(5-acetyl-2-methylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide?
The canonical SMILES for N-(5-acetyl-2-methylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide is CC(=O)c1ccc(C)c(NC(=O)CCCN2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of N-(5-acetyl-2-methylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide?
The InChIKey is URQBEVLZUXASEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-13-9-10-15(14(2)24)12-18(13)22-19(25)8-5-11-23-20(26)16-6-3-4-7-17(16)21(23)27/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,22,25).
What are the key properties of N-(5-acetyl-2-methylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide?
N-(5-acetyl-2-methylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide has a molecular weight of 364.40 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-methylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide is sourced from PubChem (CID 110604119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).