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

C17H26N2O4 — CID 90681603

IUPAC4-tert-butyl-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NOCCCCCC(=O)NO)cc1
InChIInChI=1S/C17H26N2O4/c1-17(2,3)14-10-8-13(9-11-14)16(21)19-23-12-6-4-5-7-15(20)18-22/h8-11,22H,4-7,12H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyBLGNMDHRXHMDOI-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.71
Rot. Bonds8

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

4-tert-butyl-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide (PubChem CID 90681603) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-tert-butyl-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide
PubChem CID90681603
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name4-tert-butyl-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NOCCCCCC(=O)NO)cc1
InChIInChI=1S/C17H26N2O4/c1-17(2,3)14-10-8-13(9-11-14)16(21)19-23-12-6-4-5-7-15(20)18-22/h8-11,22H,4-7,12H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyBLGNMDHRXHMDOI-UHFFFAOYSA-N
XLogP2.71
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.71
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

CID 71520717
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CID 92014
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CID 426839
CID 426839
CID 44369716
CID 44369716
CID 88356
CID 88356
CID 21397854
CID 21397854
CID 20771934
CID 20771934
CID 71520631
CID 71520631
CID 71520716
CID 71520716
CID 88345263
CID 88345263
CID 71520628
CID 71520628
CID 71520629
CID 71520629

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide?
The IUPAC name of 4-tert-butyl-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide (CID 90681603) is 4-tert-butyl-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide?
The canonical SMILES for 4-tert-butyl-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide is CC(C)(C)c1ccc(C(=O)NOCCCCCC(=O)NO)cc1.
What is the InChIKey of 4-tert-butyl-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide?
The InChIKey is BLGNMDHRXHMDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-17(2,3)14-10-8-13(9-11-14)16(21)19-23-12-6-4-5-7-15(20)18-22/h8-11,22H,4-7,12H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of 4-tert-butyl-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide?
4-tert-butyl-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide has a molecular weight of 322.41 g/mol, XLogP of 2.71, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide is sourced from PubChem (CID 90681603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).