N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-propan-2-ylphenoxy)propanamide

C26H24N2O4 — CID 56508320

IUPACN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-propan-2-ylphenoxy)propanamide
SMILESCC(C)c1ccc(OCCC(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1
InChIInChI=1S/C26H24N2O4/c1-17(2)18-10-12-21(13-11-18)32-15-14-24(29)27-19-6-5-7-20(16-19)28-25(30)22-8-3-4-9-23(22)26(28)31/h3-13,16-17H,14-15H2,1-2H3,(H,27,29)
InChIKeyFNMCJIPKWUORRV-UHFFFAOYSA-N
MW428.49 g/mol
LogP5.02
Rot. Bonds7

About N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-propan-2-ylphenoxy)propanamide

N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-propan-2-ylphenoxy)propanamide (PubChem CID 56508320) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-propan-2-ylphenoxy)propanamide
PubChem CID56508320
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC NameN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-propan-2-ylphenoxy)propanamide
SMILESCC(C)c1ccc(OCCC(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1
InChIInChI=1S/C26H24N2O4/c1-17(2)18-10-12-21(13-11-18)32-15-14-24(29)27-19-6-5-7-20(16-19)28-25(30)22-8-3-4-9-23(22)26(28)31/h3-13,16-17H,14-15H2,1-2H3,(H,27,29)
InChIKeyFNMCJIPKWUORRV-UHFFFAOYSA-N
XLogP5.02
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.49
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-propan-2-ylphenoxy)propanamide 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

2-(4-acetylphenoxy)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide
CID 56507840
N-(3-chlorophenyl)-4-(4-propan-2-ylphenoxy)butanamide
CID 19207322
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(4-methylphenoxy)propanamide
CID 56507324
3-(2,3-dichlorophenyl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide
CID 56507680
N-(3-oxo-1,2-dihydroisoindol-5-yl)-3-(4-propan-2-ylphenoxy)propanamide
CID 86872801
4-phenoxy-N-(4-propan-2-ylphenyl)butanamide
CID 21367289
N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]butanamide
CID 1299134
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 56508331
3-(4-methylphenoxy)-N-[3-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 31874270
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 56507447
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide
CID 56507565
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-propan-2-ylsulfonylpropanamide
CID 56507418

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-propan-2-ylphenoxy)propanamide (CID 56508320) is N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-propan-2-ylphenoxy)propanamide is CC(C)c1ccc(OCCC(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1.
What is the InChIKey of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-propan-2-ylphenoxy)propanamide?
The InChIKey is FNMCJIPKWUORRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-17(2)18-10-12-21(13-11-18)32-15-14-24(29)27-19-6-5-7-20(16-19)28-25(30)22-8-3-4-9-23(22)26(28)31/h3-13,16-17H,14-15H2,1-2H3,(H,27,29).
What are the key properties of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-propan-2-ylphenoxy)propanamide?
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-propan-2-ylphenoxy)propanamide has a molecular weight of 428.49 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-3-(4-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 56508320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).