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

C18H28N2O4 — CID 134179433

IUPAC4-hexoxy-N-[(2S)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCCCCCCOc1ccc(C(=O)N[C@H](C(=O)NO)C(C)C)cc1
InChIInChI=1S/C18H28N2O4/c1-4-5-6-7-12-24-15-10-8-14(9-11-15)17(21)19-16(13(2)3)18(22)20-23/h8-11,13,16,23H,4-7,12H2,1-3H3,(H,19,21)(H,20,22)/t16-/m0/s1
InChIKeyGUGHZGUQZCBZHP-INIZCTEOSA-N
MW336.43 g/mol
LogP2.91
Rot. Bonds10

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

4-hexoxy-N-[(2S)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 134179433) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is 4-hexoxy-N-[(2S)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name4-hexoxy-N-[(2S)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID134179433
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name4-hexoxy-N-[(2S)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCCCCCCOc1ccc(C(=O)N[C@H](C(=O)NO)C(C)C)cc1
InChIInChI=1S/C18H28N2O4/c1-4-5-6-7-12-24-15-10-8-14(9-11-15)17(21)19-16(13(2)3)18(22)20-23/h8-11,13,16,23H,4-7,12H2,1-3H3,(H,19,21)(H,20,22)/t16-/m0/s1
InChIKeyGUGHZGUQZCBZHP-INIZCTEOSA-N
XLogP2.91
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-hexoxy-N-[(2S)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 4-hexoxy-N-[(2S)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide (CID 134179433) is 4-hexoxy-N-[(2S)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 4-hexoxy-N-[(2S)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 4-hexoxy-N-[(2S)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide is CCCCCCOc1ccc(C(=O)N[C@H](C(=O)NO)C(C)C)cc1.
What is the InChIKey of 4-hexoxy-N-[(2S)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is GUGHZGUQZCBZHP-INIZCTEOSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-4-5-6-7-12-24-15-10-8-14(9-11-15)17(21)19-16(13(2)3)18(22)20-23/h8-11,13,16,23H,4-7,12H2,1-3H3,(H,19,21)(H,20,22)/t16-/m0/s1.
What are the key properties of 4-hexoxy-N-[(2S)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide?
4-hexoxy-N-[(2S)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 336.43 g/mol, XLogP of 2.91, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-N-[(2S)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 134179433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).