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

C17H26N2O4 — CID 90681612

IUPAC4-butyl-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide
SMILESCCCCc1ccc(C(=O)NOCCCCCC(=O)NO)cc1
InChIInChI=1S/C17H26N2O4/c1-2-3-7-14-9-11-15(12-10-14)17(21)19-23-13-6-4-5-8-16(20)18-22/h9-12,22H,2-8,13H2,1H3,(H,18,20)(H,19,21)
InChIKeyWROUKMHRIMDALQ-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.76
Rot. Bonds11

About 4-butyl-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide

4-butyl-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide (PubChem CID 90681612) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-butyl-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide.

Molecular Properties

Compound Name4-butyl-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide
PubChem CID90681612
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name4-butyl-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide
SMILESCCCCc1ccc(C(=O)NOCCCCCC(=O)NO)cc1
InChIInChI=1S/C17H26N2O4/c1-2-3-7-14-9-11-15(12-10-14)17(21)19-23-13-6-4-5-8-16(20)18-22/h9-12,22H,2-8,13H2,1H3,(H,18,20)(H,19,21)
InChIKeyWROUKMHRIMDALQ-UHFFFAOYSA-N
XLogP2.76
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.76
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

Carboxycinnamic Acid Bishydroxamide
CID 5353484
Lmk-235
CID 71520717
N-hydroxy-4-methylbenzamide
CID 426839
Biphenylhydroxamic acid
CID 44369716
Terephthalyldihydroxamic acid
CID 88356
4-tert-Butyl-N-hydroxybenzamide
CID 21397854
N-Hydroxy-4-isobutyl-benzamide
CID 20771934
N-hydroxy-3-methylbenzamide
CID 4288771
N-hydroxy-4-(2-phenylethyl)benzamide
CID 22986830
3-fluoro-N-hydroxy-4-methylbenzamide
CID 24705374
2'',4'',6''-Trimethyl-biphenyl-4-carboxylic acid hydroxyamide
CID 44307273
4-(aminomethyl)-N-hydroxybenzamide
CID 63992786

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide?
The IUPAC name of 4-butyl-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide (CID 90681612) is 4-butyl-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide.
What is the SMILES notation for 4-butyl-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide?
The canonical SMILES for 4-butyl-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide is CCCCc1ccc(C(=O)NOCCCCCC(=O)NO)cc1.
What is the InChIKey of 4-butyl-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide?
The InChIKey is WROUKMHRIMDALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-2-3-7-14-9-11-15(12-10-14)17(21)19-23-13-6-4-5-8-16(20)18-22/h9-12,22H,2-8,13H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 4-butyl-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide?
4-butyl-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide has a molecular weight of 322.41 g/mol, XLogP of 2.76, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide is sourced from PubChem (CID 90681612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).