2-[[(7R)-4,10-dihydroxy-7-methyl-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-N-hydroxyacetamide

C17H17NO6 — CID 162657225

IUPAC2-[[(7R)-4,10-dihydroxy-7-methyl-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-N-hydroxyacetamide
SMILESC[C@H]1CC(=O)c2c(cc3cc(OCC(=O)NO)cc(O)c3c2O)C1
InChIInChI=1S/C17H17NO6/c1-8-2-9-4-10-5-11(24-7-14(21)18-23)6-13(20)16(10)17(22)15(9)12(19)3-8/h4-6,8,20,22-23H,2-3,7H2,1H3,(H,18,21)/t8-/m1/s1
InChIKeyKXRYTXMLDBWBAY-MRVPVSSYSA-N
MW331.32 g/mol
LogP1.90
Rot. Bonds3

About 2-[[(7R)-4,10-dihydroxy-7-methyl-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-N-hydroxyacetamide

2-[[(7R)-4,10-dihydroxy-7-methyl-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-N-hydroxyacetamide (PubChem CID 162657225) has the molecular formula C17H17NO6 and a molecular weight of 331.32 g/mol. Its IUPAC name is 2-[[(7R)-4,10-dihydroxy-7-methyl-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[[(7R)-4,10-dihydroxy-7-methyl-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-N-hydroxyacetamide
PubChem CID162657225
Molecular FormulaC17H17NO6
Molecular Weight331.32 g/mol
Exact Mass331.11
IUPAC Name2-[[(7R)-4,10-dihydroxy-7-methyl-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-N-hydroxyacetamide
SMILESC[C@H]1CC(=O)c2c(cc3cc(OCC(=O)NO)cc(O)c3c2O)C1
InChIInChI=1S/C17H17NO6/c1-8-2-9-4-10-5-11(24-7-14(21)18-23)6-13(20)16(10)17(22)15(9)12(19)3-8/h4-6,8,20,22-23H,2-3,7H2,1H3,(H,18,21)/t8-/m1/s1
InChIKeyKXRYTXMLDBWBAY-MRVPVSSYSA-N
XLogP1.90
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 51.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-[[(7R)-4,10-dihydroxy-7-methyl-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-N-hydroxyacetamide?
The IUPAC name of 2-[[(7R)-4,10-dihydroxy-7-methyl-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-N-hydroxyacetamide (CID 162657225) is 2-[[(7R)-4,10-dihydroxy-7-methyl-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-N-hydroxyacetamide.
What is the SMILES notation for 2-[[(7R)-4,10-dihydroxy-7-methyl-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-N-hydroxyacetamide?
The canonical SMILES for 2-[[(7R)-4,10-dihydroxy-7-methyl-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-N-hydroxyacetamide is C[C@H]1CC(=O)c2c(cc3cc(OCC(=O)NO)cc(O)c3c2O)C1.
What is the InChIKey of 2-[[(7R)-4,10-dihydroxy-7-methyl-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-N-hydroxyacetamide?
The InChIKey is KXRYTXMLDBWBAY-MRVPVSSYSA-N. The full InChI is InChI=1S/C17H17NO6/c1-8-2-9-4-10-5-11(24-7-14(21)18-23)6-13(20)16(10)17(22)15(9)12(19)3-8/h4-6,8,20,22-23H,2-3,7H2,1H3,(H,18,21)/t8-/m1/s1.
What are the key properties of 2-[[(7R)-4,10-dihydroxy-7-methyl-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-N-hydroxyacetamide?
2-[[(7R)-4,10-dihydroxy-7-methyl-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-N-hydroxyacetamide has a molecular weight of 331.32 g/mol, XLogP of 1.90, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(7R)-4,10-dihydroxy-7-methyl-5-oxo-7,8-dihydro-6H-anthracen-2-yl]oxy]-N-hydroxyacetamide is sourced from PubChem (CID 162657225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).