2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-propan-2-ylphenyl)acetamide

C23H20N2O3 — CID 113202039

IUPAC2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CN2C(=O)c3cccc4cccc(c34)C2=O)cc1
InChIInChI=1S/C23H20N2O3/c1-14(2)15-9-11-17(12-10-15)24-20(26)13-25-22(27)18-7-3-5-16-6-4-8-19(21(16)18)23(25)28/h3-12,14H,13H2,1-2H3,(H,24,26)
InChIKeyOTMAYWDMRZGLES-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.20
Rot. Bonds4

About 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-propan-2-ylphenyl)acetamide

2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 113202039) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-propan-2-ylphenyl)acetamide
PubChem CID113202039
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CN2C(=O)c3cccc4cccc(c34)C2=O)cc1
InChIInChI=1S/C23H20N2O3/c1-14(2)15-9-11-17(12-10-15)24-20(26)13-25-22(27)18-7-3-5-16-6-4-8-19(21(16)18)23(25)28/h3-12,14H,13H2,1-2H3,(H,24,26)
InChIKeyOTMAYWDMRZGLES-UHFFFAOYSA-N
XLogP4.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]butanamide
CID 42120764
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetamide
CID 39968509
2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 17129339
N-(2,3-dimethylphenyl)-2-(1,3-dioxobenzo[de]isoquinolin-2-yl)acetamide
CID 113202033
2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113202064
N-(4-propan-2-ylphenyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7652393
2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 2574652
N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 719174
ethyl 4-[[2-(2-oxobenzo[cd]indol-1-yl)acetyl]amino]benzoate
CID 1083001
2-(1,3-dioxoisoindol-2-yl)-N-[4-(ethylamino)phenyl]acetamide
CID 23824241
N-(4-tert-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7658806
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 112779006

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-propan-2-ylphenyl)acetamide (CID 113202039) is 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)CN2C(=O)c3cccc4cccc(c34)C2=O)cc1.
What is the InChIKey of 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is OTMAYWDMRZGLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-14(2)15-9-11-17(12-10-15)24-20(26)13-25-22(27)18-7-3-5-16-6-4-8-19(21(16)18)23(25)28/h3-12,14H,13H2,1-2H3,(H,24,26).
What are the key properties of 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-propan-2-ylphenyl)acetamide?
2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 372.42 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 113202039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).