N-(4-acetylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide

C20H18N2O4 — CID 2303121

IUPACN-(4-acetylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
SMILESCC(=O)c1ccc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C20H18N2O4/c1-13(23)14-8-10-15(11-9-14)21-18(24)7-4-12-22-19(25)16-5-2-3-6-17(16)20(22)26/h2-3,5-6,8-11H,4,7,12H2,1H3,(H,21,24)
InChIKeyJISQMCDPVUFHKY-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.90
Rot. Bonds6

About N-(4-acetylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide

N-(4-acetylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide (PubChem CID 2303121) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
PubChem CID2303121
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC NameN-(4-acetylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
SMILESCC(=O)c1ccc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C20H18N2O4/c1-13(23)14-8-10-15(11-9-14)21-18(24)7-4-12-22-19(25)16-5-2-3-6-17(16)20(22)26/h2-3,5-6,8-11H,4,7,12H2,1H3,(H,21,24)
InChIKeyJISQMCDPVUFHKY-UHFFFAOYSA-N
XLogP2.90
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-acetylphenyl)-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-(4-anilinophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 2953922
N-(5-acetyl-2-methylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 110604119
N-(4-butylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 2204148
dimethyl 5-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]benzene-1,3-dicarboxylate
CID 2682990
N-(4-acetylphenyl)-6-(2,5-dioxopyrrol-1-yl)hexanamide
CID 144604040
4-(1,3-dioxoisoindol-2-yl)-N-[4-(2-methoxyphenoxy)phenyl]butanamide
CID 34168388
3-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide;ethane
CID 90892974
N-(3,5-difluorophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 34169021
4-(1,3-dioxoisoindol-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide
CID 1119719
3-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]benzoic acid
CID 1238428
2-ethoxyethyl 4-[6-(1,3-dioxoisoindol-2-yl)hexanoylamino]benzoate
CID 19171665
N-[4-[2-(1,3-dioxoisoindol-2-yl)acetyl]phenyl]hexanamide
CID 7960039

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide?
The IUPAC name of N-(4-acetylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide (CID 2303121) is N-(4-acetylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide?
The canonical SMILES for N-(4-acetylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide is CC(=O)c1ccc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide?
The InChIKey is JISQMCDPVUFHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-13(23)14-8-10-15(11-9-14)21-18(24)7-4-12-22-19(25)16-5-2-3-6-17(16)20(22)26/h2-3,5-6,8-11H,4,7,12H2,1H3,(H,21,24).
What are the key properties of N-(4-acetylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide?
N-(4-acetylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide has a molecular weight of 350.37 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide is sourced from PubChem (CID 2303121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).