N-(1,3-dioxo-2-phenylisoindol-5-yl)-2-methylpropanamide

C18H16N2O3 — CID 839386

IUPACN-(1,3-dioxo-2-phenylisoindol-5-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O
InChIInChI=1S/C18H16N2O3/c1-11(2)16(21)19-12-8-9-14-15(10-12)18(23)20(17(14)22)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,19,21)
InChIKeyDINPLSZQURGVOI-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.08
Rot. Bonds3

About N-(1,3-dioxo-2-phenylisoindol-5-yl)-2-methylpropanamide

N-(1,3-dioxo-2-phenylisoindol-5-yl)-2-methylpropanamide (PubChem CID 839386) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(1,3-dioxo-2-phenylisoindol-5-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(1,3-dioxo-2-phenylisoindol-5-yl)-2-methylpropanamide
PubChem CID839386
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN-(1,3-dioxo-2-phenylisoindol-5-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O
InChIInChI=1S/C18H16N2O3/c1-11(2)16(21)19-12-8-9-14-15(10-12)18(23)20(17(14)22)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,19,21)
InChIKeyDINPLSZQURGVOI-UHFFFAOYSA-N
XLogP3.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.08
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

2-(4-chlorophenyl)-N-(1,3-dioxo-2-phenylisoindol-5-yl)acetamide
CID 1300069
N-(1,3-dioxo-2-phenylisoindol-5-yl)-3-hydroxynaphthalene-2-carboxamide
CID 15176885
N-[2-(4-bromophenyl)-1,3-dioxoisoindol-5-yl]benzamide
CID 15991864
N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]-2-methylpropanamide
CID 113082971
4-(tert-butylsulfonylamino)-N-(1,3-dioxo-2-phenylisoindol-5-yl)benzamide
CID 20629329
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-propan-2-ylsulfonylpropanamide
CID 56507418
N-(3,4-dichlorophenyl)-1,3-dioxo-2-phenylisoindole-5-carboxamide
CID 1350530
N-[3-(1,3-dioxo-2-phenylisoindol-5-yl)oxyphenyl]-2-phenoxybutanamide
CID 4198226
methyl 1,3-dioxo-2-phenylisoindole-5-carboxylate
CID 823415
2-(2,5-dimethylphenoxy)-N-(1,3-dioxo-2-phenylisoindol-5-yl)acetamide
CID 3677999
[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carboxylate
CID 2549256
(4-acetamidophenyl) 1,3-dioxo-2-phenylisoindole-5-carboxylate
CID 19132744

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxo-2-phenylisoindol-5-yl)-2-methylpropanamide?
The IUPAC name of N-(1,3-dioxo-2-phenylisoindol-5-yl)-2-methylpropanamide (CID 839386) is N-(1,3-dioxo-2-phenylisoindol-5-yl)-2-methylpropanamide.
What is the SMILES notation for N-(1,3-dioxo-2-phenylisoindol-5-yl)-2-methylpropanamide?
The canonical SMILES for N-(1,3-dioxo-2-phenylisoindol-5-yl)-2-methylpropanamide is CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O.
What is the InChIKey of N-(1,3-dioxo-2-phenylisoindol-5-yl)-2-methylpropanamide?
The InChIKey is DINPLSZQURGVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-11(2)16(21)19-12-8-9-14-15(10-12)18(23)20(17(14)22)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,19,21).
What are the key properties of N-(1,3-dioxo-2-phenylisoindol-5-yl)-2-methylpropanamide?
N-(1,3-dioxo-2-phenylisoindol-5-yl)-2-methylpropanamide has a molecular weight of 308.34 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxo-2-phenylisoindol-5-yl)-2-methylpropanamide is sourced from PubChem (CID 839386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).