N-[4-(1,3-dioxobenzo[e]isoindol-2-yl)phenyl]-2,2-dimethylpropanamide

C23H20N2O3 — CID 101405797

IUPACN-[4-(1,3-dioxobenzo[e]isoindol-2-yl)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(N2C(=O)c3ccc4ccccc4c3C2=O)cc1
InChIInChI=1S/C23H20N2O3/c1-23(2,3)22(28)24-15-9-11-16(12-10-15)25-20(26)18-13-8-14-6-4-5-7-17(14)19(18)21(25)27/h4-13H,1-3H3,(H,24,28)
InChIKeyBINQDMZTHXDIQE-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.62
Rot. Bonds2

About N-[4-(1,3-dioxobenzo[e]isoindol-2-yl)phenyl]-2,2-dimethylpropanamide

N-[4-(1,3-dioxobenzo[e]isoindol-2-yl)phenyl]-2,2-dimethylpropanamide (PubChem CID 101405797) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is N-[4-(1,3-dioxobenzo[e]isoindol-2-yl)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-(1,3-dioxobenzo[e]isoindol-2-yl)phenyl]-2,2-dimethylpropanamide
PubChem CID101405797
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC NameN-[4-(1,3-dioxobenzo[e]isoindol-2-yl)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(N2C(=O)c3ccc4ccccc4c3C2=O)cc1
InChIInChI=1S/C23H20N2O3/c1-23(2,3)22(28)24-15-9-11-16(12-10-15)25-20(26)18-13-8-14-6-4-5-7-17(14)19(18)21(25)27/h4-13H,1-3H3,(H,24,28)
InChIKeyBINQDMZTHXDIQE-UHFFFAOYSA-N
XLogP4.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.62
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

N-(1,3-dioxo-2-phenylisoindol-4-yl)-2,2-dimethylpropanamide
CID 960391
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2,2-dimethylpropanamide
CID 960947
N-[2-[5-[5-(2,2-dimethylpropanoylamino)-1,3-dioxoisoindol-2-yl]naphthalen-1-yl]-1,3-dioxoisoindol-5-yl]-2,2-dimethylpropanamide
CID 3513479
methyl 1,3-dioxobenzo[e]isoindole-2-carboxylate
CID 126563339
N-anthracen-2-yl-2,2-dimethylpropanamide
CID 19044653
N-[4-(4,5-dimethoxy-1,3-dioxoisoindol-2-yl)phenyl]acetamide
CID 764256
N-[4-[3,4-bis(1-methylindol-3-yl)-2,5-dioxopyrrol-1-yl]phenyl]acetamide
CID 122233504
N-[4-[[4-[[4-(2,2-dimethylpropanoylamino)anilino]methyl]phenyl]methylamino]phenyl]-2,2-dimethylpropanamide
CID 155301754
4-(1,3-dioxoisoindol-2-yl)-N-(4-ethylphenyl)benzamide
CID 1188829
N-benzo[a]phenazin-10-yl-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 126343294
N-benzo[e][1,3]benzothiazol-2-yl-2,2-dimethylpropanamide
CID 2340220
methyl 4-[[4-(1,3-dioxoisoindol-2-yl)phenyl]carbamoyl]benzoate
CID 998530

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-dioxobenzo[e]isoindol-2-yl)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-(1,3-dioxobenzo[e]isoindol-2-yl)phenyl]-2,2-dimethylpropanamide (CID 101405797) is N-[4-(1,3-dioxobenzo[e]isoindol-2-yl)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-(1,3-dioxobenzo[e]isoindol-2-yl)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-(1,3-dioxobenzo[e]isoindol-2-yl)phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(N2C(=O)c3ccc4ccccc4c3C2=O)cc1.
What is the InChIKey of N-[4-(1,3-dioxobenzo[e]isoindol-2-yl)phenyl]-2,2-dimethylpropanamide?
The InChIKey is BINQDMZTHXDIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-23(2,3)22(28)24-15-9-11-16(12-10-15)25-20(26)18-13-8-14-6-4-5-7-17(14)19(18)21(25)27/h4-13H,1-3H3,(H,24,28).
What are the key properties of N-[4-(1,3-dioxobenzo[e]isoindol-2-yl)phenyl]-2,2-dimethylpropanamide?
N-[4-(1,3-dioxobenzo[e]isoindol-2-yl)phenyl]-2,2-dimethylpropanamide has a molecular weight of 372.42 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-dioxobenzo[e]isoindol-2-yl)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 101405797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).