2-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)-N-hydroxy-N-methylacetamide

C17H15NO5 — CID 10543182

IUPAC2-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)-N-hydroxy-N-methylacetamide
SMILESCN(O)C(=O)Cc1ccc2c(c1O)C(=O)c1c(O)cccc1C2
InChIInChI=1S/C17H15NO5/c1-18(23)13(20)8-11-6-5-10-7-9-3-2-4-12(19)14(9)17(22)15(10)16(11)21/h2-6,19,21,23H,7-8H2,1H3
InChIKeyYGGSOWXQHBUIGO-UHFFFAOYSA-N
MW313.31 g/mol
LogP1.62
Rot. Bonds2

About 2-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)-N-hydroxy-N-methylacetamide

2-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)-N-hydroxy-N-methylacetamide (PubChem CID 10543182) has the molecular formula C17H15NO5 and a molecular weight of 313.31 g/mol. Its IUPAC name is 2-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)-N-hydroxy-N-methylacetamide.

Molecular Properties

Compound Name2-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)-N-hydroxy-N-methylacetamide
PubChem CID10543182
Molecular FormulaC17H15NO5
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Name2-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)-N-hydroxy-N-methylacetamide
SMILESCN(O)C(=O)Cc1ccc2c(c1O)C(=O)c1c(O)cccc1C2
InChIInChI=1S/C17H15NO5/c1-18(23)13(20)8-11-6-5-10-7-9-3-2-4-12(19)14(9)17(22)15(10)16(11)21/h2-6,19,21,23H,7-8H2,1H3
InChIKeyYGGSOWXQHBUIGO-UHFFFAOYSA-N
XLogP1.62
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)-N-hydroxy-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)-N-hydroxy-N-methylacetamide?
The IUPAC name of 2-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)-N-hydroxy-N-methylacetamide (CID 10543182) is 2-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)-N-hydroxy-N-methylacetamide.
What is the SMILES notation for 2-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)-N-hydroxy-N-methylacetamide?
The canonical SMILES for 2-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)-N-hydroxy-N-methylacetamide is CN(O)C(=O)Cc1ccc2c(c1O)C(=O)c1c(O)cccc1C2.
What is the InChIKey of 2-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)-N-hydroxy-N-methylacetamide?
The InChIKey is YGGSOWXQHBUIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO5/c1-18(23)13(20)8-11-6-5-10-7-9-3-2-4-12(19)14(9)17(22)15(10)16(11)21/h2-6,19,21,23H,7-8H2,1H3.
What are the key properties of 2-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)-N-hydroxy-N-methylacetamide?
2-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)-N-hydroxy-N-methylacetamide has a molecular weight of 313.31 g/mol, XLogP of 1.62, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)-N-hydroxy-N-methylacetamide is sourced from PubChem (CID 10543182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).