4-ethoxy-N-[(2S)-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide

C14H20N2O5 — CID 89072027

IUPAC4-ethoxy-N-[(2S)-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCCOc1ccc(C(=O)N[C@H](C(=O)NO)C(C)(C)O)cc1
InChIInChI=1S/C14H20N2O5/c1-4-21-10-7-5-9(6-8-10)12(17)15-11(13(18)16-20)14(2,3)19/h5-8,11,19-20H,4H2,1-3H3,(H,15,17)(H,16,18)/t11-/m1/s1
InChIKeyADHOYURSIAQIBT-LLVKDONJSA-N
MW296.32 g/mol
LogP0.46
Rot. Bonds6

About 4-ethoxy-N-[(2S)-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide

4-ethoxy-N-[(2S)-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 89072027) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 4-ethoxy-N-[(2S)-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[(2S)-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID89072027
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name4-ethoxy-N-[(2S)-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCCOc1ccc(C(=O)N[C@H](C(=O)NO)C(C)(C)O)cc1
InChIInChI=1S/C14H20N2O5/c1-4-21-10-7-5-9(6-8-10)12(17)15-11(13(18)16-20)14(2,3)19/h5-8,11,19-20H,4H2,1-3H3,(H,15,17)(H,16,18)/t11-/m1/s1
InChIKeyADHOYURSIAQIBT-LLVKDONJSA-N
XLogP0.46
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.46
H-Bond Donors ≤ 54
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-ethoxy-N-[(2S)-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 4-ethoxy-N-[(2S)-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide (CID 89072027) is 4-ethoxy-N-[(2S)-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[(2S)-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 4-ethoxy-N-[(2S)-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide is CCOc1ccc(C(=O)N[C@H](C(=O)NO)C(C)(C)O)cc1.
What is the InChIKey of 4-ethoxy-N-[(2S)-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is ADHOYURSIAQIBT-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-4-21-10-7-5-9(6-8-10)12(17)15-11(13(18)16-20)14(2,3)19/h5-8,11,19-20H,4H2,1-3H3,(H,15,17)(H,16,18)/t11-/m1/s1.
What are the key properties of 4-ethoxy-N-[(2S)-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide?
4-ethoxy-N-[(2S)-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 296.32 g/mol, XLogP of 0.46, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(2S)-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 89072027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).