N-(4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide

C12H14N2O3 — CID 10399116

IUPACN-(4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1O)C(C)(C)C(=O)N2
InChIInChI=1S/C12H14N2O3/c1-6(15)13-8-5-4-7-9(10(8)16)12(2,3)11(17)14-7/h4-5,16H,1-3H3,(H,13,15)(H,14,17)
InChIKeyUXOQACHPQNKIGE-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.58
Rot. Bonds1

About N-(4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide

N-(4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide (PubChem CID 10399116) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is N-(4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide
PubChem CID10399116
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC NameN-(4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1O)C(C)(C)C(=O)N2
InChIInChI=1S/C12H14N2O3/c1-6(15)13-8-5-4-7-9(10(8)16)12(2,3)11(17)14-7/h4-5,16H,1-3H3,(H,13,15)(H,14,17)
InChIKeyUXOQACHPQNKIGE-UHFFFAOYSA-N
XLogP1.58
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide?
The IUPAC name of N-(4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide (CID 10399116) is N-(4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide.
What is the SMILES notation for N-(4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide?
The canonical SMILES for N-(4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide is CC(=O)Nc1ccc2c(c1O)C(C)(C)C(=O)N2.
What is the InChIKey of N-(4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide?
The InChIKey is UXOQACHPQNKIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-6(15)13-8-5-4-7-9(10(8)16)12(2,3)11(17)14-7/h4-5,16H,1-3H3,(H,13,15)(H,14,17).
What are the key properties of N-(4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide?
N-(4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide has a molecular weight of 234.25 g/mol, XLogP of 1.58, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide is sourced from PubChem (CID 10399116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).