N-[6-(hydroxyamino)-6-oxohexoxy]benzamide

C13H18N2O4 — CID 71520627

IUPACN-[6-(hydroxyamino)-6-oxohexoxy]benzamide
SMILESO=C(CCCCCONC(=O)c1ccccc1)NO
InChIInChI=1S/C13H18N2O4/c16-12(14-18)9-5-2-6-10-19-15-13(17)11-7-3-1-4-8-11/h1,3-4,7-8,18H,2,5-6,9-10H2,(H,14,16)(H,15,17)
InChIKeySPKYMXSBQDKHIZ-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.41
Rot. Bonds8

About N-[6-(hydroxyamino)-6-oxohexoxy]benzamide

N-[6-(hydroxyamino)-6-oxohexoxy]benzamide (PubChem CID 71520627) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[6-(hydroxyamino)-6-oxohexoxy]benzamide.

Molecular Properties

Compound NameN-[6-(hydroxyamino)-6-oxohexoxy]benzamide
PubChem CID71520627
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC NameN-[6-(hydroxyamino)-6-oxohexoxy]benzamide
SMILESO=C(CCCCCONC(=O)c1ccccc1)NO
InChIInChI=1S/C13H18N2O4/c16-12(14-18)9-5-2-6-10-19-15-13(17)11-7-3-1-4-8-11/h1,3-4,7-8,18H,2,5-6,9-10H2,(H,14,16)(H,15,17)
InChIKeySPKYMXSBQDKHIZ-UHFFFAOYSA-N
XLogP1.41
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.41
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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Related Compounds

2-fluoro-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide
CID 90681615
methyl 5-benzamidooxypentanoate
CID 87652749
4-hexoxy-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide
CID 90681613
N-[6-(hydroxyamino)-6-oxohexoxy]-4-propoxybenzamide
CID 90681607
N-(2-fluoroethoxy)benzamide
CID 142724963
1,1'-biphenyl;8-(hydroxyamino)-8-oxooctanoic acid
CID 87482835
N-hydroxy-6-phenylhexanamide;thiohydroxylamine
CID 142086803
7-(2-fluorophenoxy)-N-hydroxyheptanamide
CID 39357269
[[8-(benzoyloxyamino)-8-oxooctanoyl]amino] benzoate
CID 569846
N-(6-hydrazinyl-6-oxohexyl)benzamide
CID 5226635
(2-hydroxyphenyl) 8-(hydroxyamino)-8-oxooctanoate
CID 143527744
1-N-hydroxy-3-N-(2-phenylethoxy)benzene-1,3-dicarboxamide
CID 164625826

Frequently Asked Questions

What is the IUPAC name of N-[6-(hydroxyamino)-6-oxohexoxy]benzamide?
The IUPAC name of N-[6-(hydroxyamino)-6-oxohexoxy]benzamide (CID 71520627) is N-[6-(hydroxyamino)-6-oxohexoxy]benzamide.
What is the SMILES notation for N-[6-(hydroxyamino)-6-oxohexoxy]benzamide?
The canonical SMILES for N-[6-(hydroxyamino)-6-oxohexoxy]benzamide is O=C(CCCCCONC(=O)c1ccccc1)NO.
What is the InChIKey of N-[6-(hydroxyamino)-6-oxohexoxy]benzamide?
The InChIKey is SPKYMXSBQDKHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c16-12(14-18)9-5-2-6-10-19-15-13(17)11-7-3-1-4-8-11/h1,3-4,7-8,18H,2,5-6,9-10H2,(H,14,16)(H,15,17).
What are the key properties of N-[6-(hydroxyamino)-6-oxohexoxy]benzamide?
N-[6-(hydroxyamino)-6-oxohexoxy]benzamide has a molecular weight of 266.30 g/mol, XLogP of 1.41, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(hydroxyamino)-6-oxohexoxy]benzamide is sourced from PubChem (CID 71520627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).