N-hydroxy-2-(5-methyl-1,3-dioxoisoindol-2-yl)-2-tritioacetamide

C11H10N2O4 — CID 58412749

IUPACN-hydroxy-2-(5-methyl-1,3-dioxoisoindol-2-yl)-2-tritioacetamide
SMILES[3H]C(C(=O)NO)N1C(=O)c2ccc(C)cc2C1=O
InChIInChI=1S/C11H10N2O4/c1-6-2-3-7-8(4-6)11(16)13(10(7)15)5-9(14)12-17/h2-4,17H,5H2,1H3,(H,12,14)/i5T
InChIKeyDGBPSWMBEJGRAC-XHHURNKPSA-N
MW236.22 g/mol
LogP0.10
Rot. Bonds2

About N-hydroxy-2-(5-methyl-1,3-dioxoisoindol-2-yl)-2-tritioacetamide

N-hydroxy-2-(5-methyl-1,3-dioxoisoindol-2-yl)-2-tritioacetamide (PubChem CID 58412749) has the molecular formula C11H10N2O4 and a molecular weight of 236.22 g/mol. Its IUPAC name is N-hydroxy-2-(5-methyl-1,3-dioxoisoindol-2-yl)-2-tritioacetamide.

Molecular Properties

Compound NameN-hydroxy-2-(5-methyl-1,3-dioxoisoindol-2-yl)-2-tritioacetamide
PubChem CID58412749
Molecular FormulaC11H10N2O4
Molecular Weight236.22 g/mol
Exact Mass236.07
IUPAC NameN-hydroxy-2-(5-methyl-1,3-dioxoisoindol-2-yl)-2-tritioacetamide
SMILES[3H]C(C(=O)NO)N1C(=O)c2ccc(C)cc2C1=O
InChIInChI=1S/C11H10N2O4/c1-6-2-3-7-8(4-6)11(16)13(10(7)15)5-9(14)12-17/h2-4,17H,5H2,1H3,(H,12,14)/i5T
InChIKeyDGBPSWMBEJGRAC-XHHURNKPSA-N
XLogP0.10
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-hydroxy-2-(5-methyl-1,3-dioxoisoindol-2-yl)-2-tritioacetamide 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

3,3-dimethyl-N-[2-(5-methyl-1,3-dioxoisoindol-2-yl)ethyl]butanamide
CID 170299020
methyl 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 46816833
N-(2-hydroxypropyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 78855951
2-(2-hydroxypropyl)-5-methylisoindole-1,3-dione
CID 61208292
N-methoxy-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 33101149
N-(2,6-dimethylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 30433880
(2R)-4-methyl-2-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid
CID 119364791
5-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid
CID 119234321
N-(2-amino-2-ethylbutyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide
CID 119640987
N-[(2,4-dimethylphenyl)methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 46591341
5-methyl-2-(2,2,2-trifluoroethyl)isoindole-1,3-dione
CID 142829685
2-(2-hydroxybutyl)-5-methylisoindole-1,3-dione
CID 113492803

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(5-methyl-1,3-dioxoisoindol-2-yl)-2-tritioacetamide?
The IUPAC name of N-hydroxy-2-(5-methyl-1,3-dioxoisoindol-2-yl)-2-tritioacetamide (CID 58412749) is N-hydroxy-2-(5-methyl-1,3-dioxoisoindol-2-yl)-2-tritioacetamide.
What is the SMILES notation for N-hydroxy-2-(5-methyl-1,3-dioxoisoindol-2-yl)-2-tritioacetamide?
The canonical SMILES for N-hydroxy-2-(5-methyl-1,3-dioxoisoindol-2-yl)-2-tritioacetamide is [3H]C(C(=O)NO)N1C(=O)c2ccc(C)cc2C1=O.
What is the InChIKey of N-hydroxy-2-(5-methyl-1,3-dioxoisoindol-2-yl)-2-tritioacetamide?
The InChIKey is DGBPSWMBEJGRAC-XHHURNKPSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-6-2-3-7-8(4-6)11(16)13(10(7)15)5-9(14)12-17/h2-4,17H,5H2,1H3,(H,12,14)/i5T.
What are the key properties of N-hydroxy-2-(5-methyl-1,3-dioxoisoindol-2-yl)-2-tritioacetamide?
N-hydroxy-2-(5-methyl-1,3-dioxoisoindol-2-yl)-2-tritioacetamide has a molecular weight of 236.22 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(5-methyl-1,3-dioxoisoindol-2-yl)-2-tritioacetamide is sourced from PubChem (CID 58412749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).