4-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)-N-hydroxy-N-methylbutanamide

C19H19NO5 — CID 10246681

IUPAC4-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)-N-hydroxy-N-methylbutanamide
SMILESCN(O)C(=O)CCCc1ccc2c(c1O)C(=O)c1c(O)cccc1C2
InChIInChI=1S/C19H19NO5/c1-20(25)15(22)7-3-4-11-8-9-13-10-12-5-2-6-14(21)16(12)19(24)17(13)18(11)23/h2,5-6,8-9,21,23,25H,3-4,7,10H2,1H3
InChIKeyGKNZLRDDKGJSJQ-UHFFFAOYSA-N
MW341.36 g/mol
LogP2.40
Rot. Bonds4

About 4-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)-N-hydroxy-N-methylbutanamide

4-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)-N-hydroxy-N-methylbutanamide (PubChem CID 10246681) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is 4-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)-N-hydroxy-N-methylbutanamide.

Molecular Properties

Compound Name4-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)-N-hydroxy-N-methylbutanamide
PubChem CID10246681
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name4-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)-N-hydroxy-N-methylbutanamide
SMILESCN(O)C(=O)CCCc1ccc2c(c1O)C(=O)c1c(O)cccc1C2
InChIInChI=1S/C19H19NO5/c1-20(25)15(22)7-3-4-11-8-9-13-10-12-5-2-6-14(21)16(12)19(24)17(13)18(11)23/h2,5-6,8-9,21,23,25H,3-4,7,10H2,1H3
InChIKeyGKNZLRDDKGJSJQ-UHFFFAOYSA-N
XLogP2.40
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.40
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)-N-hydroxy-N-methylbutanamide?
The IUPAC name of 4-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)-N-hydroxy-N-methylbutanamide (CID 10246681) is 4-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)-N-hydroxy-N-methylbutanamide.
What is the SMILES notation for 4-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)-N-hydroxy-N-methylbutanamide?
The canonical SMILES for 4-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)-N-hydroxy-N-methylbutanamide is CN(O)C(=O)CCCc1ccc2c(c1O)C(=O)c1c(O)cccc1C2.
What is the InChIKey of 4-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)-N-hydroxy-N-methylbutanamide?
The InChIKey is GKNZLRDDKGJSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-20(25)15(22)7-3-4-11-8-9-13-10-12-5-2-6-14(21)16(12)19(24)17(13)18(11)23/h2,5-6,8-9,21,23,25H,3-4,7,10H2,1H3.
What are the key properties of 4-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)-N-hydroxy-N-methylbutanamide?
4-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)-N-hydroxy-N-methylbutanamide has a molecular weight of 341.36 g/mol, XLogP of 2.40, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,8-dihydroxy-9-oxo-10H-anthracen-2-yl)-N-hydroxy-N-methylbutanamide is sourced from PubChem (CID 10246681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).