N-[2-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-4-yl]acetamide

C19H13N3O5 — CID 3898701

IUPACN-[2-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-4-yl]acetamide
SMILESCC(=O)Nc1cccc2c1C(=O)N(c1ccc3c(c1)C(=O)N(C)C3=O)C2=O
InChIInChI=1S/C19H13N3O5/c1-9(23)20-14-5-3-4-12-15(14)19(27)22(18(12)26)10-6-7-11-13(8-10)17(25)21(2)16(11)24/h3-8H,1-2H3,(H,20,23)
InChIKeyORKWQHFLOYYXJN-UHFFFAOYSA-N
MW363.33 g/mol
LogP1.67
Rot. Bonds2

About N-[2-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-4-yl]acetamide

N-[2-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-4-yl]acetamide (PubChem CID 3898701) has the molecular formula C19H13N3O5 and a molecular weight of 363.33 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-4-yl]acetamide
PubChem CID3898701
Molecular FormulaC19H13N3O5
Molecular Weight363.33 g/mol
Exact Mass363.09
IUPAC NameN-[2-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-4-yl]acetamide
SMILESCC(=O)Nc1cccc2c1C(=O)N(c1ccc3c(c1)C(=O)N(C)C3=O)C2=O
InChIInChI=1S/C19H13N3O5/c1-9(23)20-14-5-3-4-12-15(14)19(27)22(18(12)26)10-6-7-11-13(8-10)17(25)21(2)16(11)24/h3-8H,1-2H3,(H,20,23)
InChIKeyORKWQHFLOYYXJN-UHFFFAOYSA-N
XLogP1.67
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(3,4-dimethylphenoxy)phenyl]-1,3-dioxoisoindol-4-yl]acetamide
CID 5028313
N-(1,3-dioxo-2-phenylisoindol-4-yl)-2,2-dimethylpropanamide
CID 960391
N-(2-methyl-1,3-dioxoisoindol-4-yl)-4-phenylbenzamide
CID 23854974
N-(2-methyl-1,3-dioxoisoindol-4-yl)-2,2-diphenylacetamide
CID 23937725
2,5-dichloro-N-(2-methyl-1,3-dioxoisoindol-4-yl)benzamide
CID 23735335
N-(2-methyl-1,3-dioxoisoindol-4-yl)cyclobutanecarboxamide
CID 47074120
N-(1,3-dioxo-2-phenylisoindol-4-yl)-3,5-dimethoxybenzamide
CID 1026126
4-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-2-phenylisoindole-1,3-dione
CID 139481854
N-(2-methyl-1,3-dioxoisoindol-4-yl)pyridine-2-carboxamide
CID 110745316
N-[2-(6-hydroxy-3-methyl-2,5-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]acetamide
CID 91166963
N-(1,3-dioxo-2-phenylisoindol-4-yl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 2937315
N-(2-methyl-1,3-dioxoisoindol-4-yl)-1,3-thiazolidine-4-carboxamide
CID 110745319

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-4-yl]acetamide?
The IUPAC name of N-[2-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-4-yl]acetamide (CID 3898701) is N-[2-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-4-yl]acetamide.
What is the SMILES notation for N-[2-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-4-yl]acetamide?
The canonical SMILES for N-[2-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-4-yl]acetamide is CC(=O)Nc1cccc2c1C(=O)N(c1ccc3c(c1)C(=O)N(C)C3=O)C2=O.
What is the InChIKey of N-[2-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-4-yl]acetamide?
The InChIKey is ORKWQHFLOYYXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O5/c1-9(23)20-14-5-3-4-12-15(14)19(27)22(18(12)26)10-6-7-11-13(8-10)17(25)21(2)16(11)24/h3-8H,1-2H3,(H,20,23).
What are the key properties of N-[2-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-4-yl]acetamide?
N-[2-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-4-yl]acetamide has a molecular weight of 363.33 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-4-yl]acetamide is sourced from PubChem (CID 3898701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).