2-(2,2-dimethylpropanoyl)-N-hydroxy-1,3-dihydroisoindole-5-carboxamide

C14H18N2O3 — CID 58147224

IUPAC2-(2,2-dimethylpropanoyl)-N-hydroxy-1,3-dihydroisoindole-5-carboxamide
SMILESCC(C)(C)C(=O)N1Cc2ccc(C(=O)NO)cc2C1
InChIInChI=1S/C14H18N2O3/c1-14(2,3)13(18)16-7-10-5-4-9(12(17)15-19)6-11(10)8-16/h4-6,19H,7-8H2,1-3H3,(H,15,17)
InChIKeyHMJYQUAVTIECII-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.69
Rot. Bonds1

About 2-(2,2-dimethylpropanoyl)-N-hydroxy-1,3-dihydroisoindole-5-carboxamide

2-(2,2-dimethylpropanoyl)-N-hydroxy-1,3-dihydroisoindole-5-carboxamide (PubChem CID 58147224) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(2,2-dimethylpropanoyl)-N-hydroxy-1,3-dihydroisoindole-5-carboxamide.

Molecular Properties

Compound Name2-(2,2-dimethylpropanoyl)-N-hydroxy-1,3-dihydroisoindole-5-carboxamide
PubChem CID58147224
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-(2,2-dimethylpropanoyl)-N-hydroxy-1,3-dihydroisoindole-5-carboxamide
SMILESCC(C)(C)C(=O)N1Cc2ccc(C(=O)NO)cc2C1
InChIInChI=1S/C14H18N2O3/c1-14(2,3)13(18)16-7-10-5-4-9(12(17)15-19)6-11(10)8-16/h4-6,19H,7-8H2,1-3H3,(H,15,17)
InChIKeyHMJYQUAVTIECII-UHFFFAOYSA-N
XLogP1.69
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropanoyl)-N-hydroxy-1,3-dihydroisoindole-5-carboxamide?
The IUPAC name of 2-(2,2-dimethylpropanoyl)-N-hydroxy-1,3-dihydroisoindole-5-carboxamide (CID 58147224) is 2-(2,2-dimethylpropanoyl)-N-hydroxy-1,3-dihydroisoindole-5-carboxamide.
What is the SMILES notation for 2-(2,2-dimethylpropanoyl)-N-hydroxy-1,3-dihydroisoindole-5-carboxamide?
The canonical SMILES for 2-(2,2-dimethylpropanoyl)-N-hydroxy-1,3-dihydroisoindole-5-carboxamide is CC(C)(C)C(=O)N1Cc2ccc(C(=O)NO)cc2C1.
What is the InChIKey of 2-(2,2-dimethylpropanoyl)-N-hydroxy-1,3-dihydroisoindole-5-carboxamide?
The InChIKey is HMJYQUAVTIECII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-14(2,3)13(18)16-7-10-5-4-9(12(17)15-19)6-11(10)8-16/h4-6,19H,7-8H2,1-3H3,(H,15,17).
What are the key properties of 2-(2,2-dimethylpropanoyl)-N-hydroxy-1,3-dihydroisoindole-5-carboxamide?
2-(2,2-dimethylpropanoyl)-N-hydroxy-1,3-dihydroisoindole-5-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropanoyl)-N-hydroxy-1,3-dihydroisoindole-5-carboxamide is sourced from PubChem (CID 58147224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).