N-(1,3-dioxoisoindol-5-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide

C22H20N2O4 — CID 39969563

IUPACN-(1,3-dioxoisoindol-5-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
SMILESCc1cc2occ(CC(=O)Nc3ccc4c(c3)C(=O)NC4=O)c2cc1C(C)C
InChIInChI=1S/C22H20N2O4/c1-11(2)16-9-17-13(10-28-19(17)6-12(16)3)7-20(25)23-14-4-5-15-18(8-14)22(27)24-21(15)26/h4-6,8-11H,7H2,1-3H3,(H,23,25)(H,24,26,27)
InChIKeyADEHYSCTXXBHHP-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.93
Rot. Bonds4

About N-(1,3-dioxoisoindol-5-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide

N-(1,3-dioxoisoindol-5-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide (PubChem CID 39969563) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-5-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-5-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
PubChem CID39969563
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC NameN-(1,3-dioxoisoindol-5-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
SMILESCc1cc2occ(CC(=O)Nc3ccc4c(c3)C(=O)NC4=O)c2cc1C(C)C
InChIInChI=1S/C22H20N2O4/c1-11(2)16-9-17-13(10-28-19(17)6-12(16)3)7-20(25)23-14-4-5-15-18(8-14)22(27)24-21(15)26/h4-6,8-11H,7H2,1-3H3,(H,23,25)(H,24,26,27)
InChIKeyADEHYSCTXXBHHP-UHFFFAOYSA-N
XLogP3.93
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(1,3-dioxoisoindol-5-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide 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-chlorophenyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 3952241
N-[4-(carbamoylamino)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 33150978
N,N-dimethyl-4-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]benzamide
CID 31303355
2-fluoro-5-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]benzamide
CID 39214150
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 3520986
N-(2,4-dimethylphenyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 3367131
N-[4-(diethylsulfamoyl)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 2513771
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 32942559
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 16547774
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 43007944
N-(2-hydroxyethyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 78783686
N-(2,4-dioxoimidazolidin-1-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 32905444

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-5-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-(1,3-dioxoisoindol-5-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide (CID 39969563) is N-(1,3-dioxoisoindol-5-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-5-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-(1,3-dioxoisoindol-5-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide is Cc1cc2occ(CC(=O)Nc3ccc4c(c3)C(=O)NC4=O)c2cc1C(C)C.
What is the InChIKey of N-(1,3-dioxoisoindol-5-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?
The InChIKey is ADEHYSCTXXBHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-11(2)16-9-17-13(10-28-19(17)6-12(16)3)7-20(25)23-14-4-5-15-18(8-14)22(27)24-21(15)26/h4-6,8-11H,7H2,1-3H3,(H,23,25)(H,24,26,27).
What are the key properties of N-(1,3-dioxoisoindol-5-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide?
N-(1,3-dioxoisoindol-5-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide has a molecular weight of 376.41 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-5-yl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 39969563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).