N-hydroxy-6-[4-[3-[5-(2-hydroxy-3,3-dimethylbutoxy)-1,3,4-oxadiazol-2-yl]pentan-3-yl]phenoxy]hexanamide

C25H39N3O6 — CID 178046335

IUPACN-hydroxy-6-[4-[3-[5-(2-hydroxy-3,3-dimethylbutoxy)-1,3,4-oxadiazol-2-yl]pentan-3-yl]phenoxy]hexanamide
SMILESCCC(CC)(c1ccc(OCCCCCC(=O)NO)cc1)c1nnc(OCC(O)C(C)(C)C)o1
InChIInChI=1S/C25H39N3O6/c1-6-25(7-2,22-26-27-23(34-22)33-17-20(29)24(3,4)5)18-12-14-19(15-13-18)32-16-10-8-9-11-21(30)28-31/h12-15,20,29,31H,6-11,16-17H2,1-5H3,(H,28,30)
InChIKeyRFUIUFJLTJWYGV-UHFFFAOYSA-N
MW477.60 g/mol
LogP4.41
Rot. Bonds14

About N-hydroxy-6-[4-[3-[5-(2-hydroxy-3,3-dimethylbutoxy)-1,3,4-oxadiazol-2-yl]pentan-3-yl]phenoxy]hexanamide

N-hydroxy-6-[4-[3-[5-(2-hydroxy-3,3-dimethylbutoxy)-1,3,4-oxadiazol-2-yl]pentan-3-yl]phenoxy]hexanamide (PubChem CID 178046335) has the molecular formula C25H39N3O6 and a molecular weight of 477.60 g/mol. Its IUPAC name is N-hydroxy-6-[4-[3-[5-(2-hydroxy-3,3-dimethylbutoxy)-1,3,4-oxadiazol-2-yl]pentan-3-yl]phenoxy]hexanamide.

Molecular Properties

Compound NameN-hydroxy-6-[4-[3-[5-(2-hydroxy-3,3-dimethylbutoxy)-1,3,4-oxadiazol-2-yl]pentan-3-yl]phenoxy]hexanamide
PubChem CID178046335
Molecular FormulaC25H39N3O6
Molecular Weight477.60 g/mol
Exact Mass477.28
IUPAC NameN-hydroxy-6-[4-[3-[5-(2-hydroxy-3,3-dimethylbutoxy)-1,3,4-oxadiazol-2-yl]pentan-3-yl]phenoxy]hexanamide
SMILESCCC(CC)(c1ccc(OCCCCCC(=O)NO)cc1)c1nnc(OCC(O)C(C)(C)C)o1
InChIInChI=1S/C25H39N3O6/c1-6-25(7-2,22-26-27-23(34-22)33-17-20(29)24(3,4)5)18-12-14-19(15-13-18)32-16-10-8-9-11-21(30)28-31/h12-15,20,29,31H,6-11,16-17H2,1-5H3,(H,28,30)
InChIKeyRFUIUFJLTJWYGV-UHFFFAOYSA-N
XLogP4.41
TPSA126.94 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.60
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

N-[6-(hydroxyamino)-6-oxohexyl]-4-[3-[5-(2-hydroxy-3,3-dimethylbutoxy)-1,3,4-oxadiazol-2-yl]pentan-3-yl]benzamide
CID 178046341
N-hydroxy-7-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]heptanamide
CID 71616935
N-[6-(hydroxyamino)-6-oxohexyl]-4-[3-[5-(2-hydroxy-3,3-dimethylbutoxy)-4-methyl-1,3-oxazol-2-yl]pentan-3-yl]benzamide
CID 178046342
N-hydroxy-4-[4-[3-[4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]butanamide
CID 71616709
N-hydroxy-8-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenyl]-8-oxooctanamide
CID 157444540
N-hydroxy-8-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-8-oxooctanamide
CID 157095786
7-[4-[3-[4-(3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]-N-hydroxyheptanamide
CID 134426097
N-hydroxy-7-[(6-methyl-3-pyridinyl)oxy]heptanamide
CID 46872843
N-[6-(hydroxyamino)-6-oxohexoxy]-4-propoxybenzamide
CID 90681607
4-hexoxy-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide
CID 90681613
7-[4-(4-aminophenyl)phenoxy]-N-hydroxyheptanamide
CID 89208200
azane;N-hydroxy-7-[(6-methyl-3-pyridinyl)oxy]heptanamide;platinum(2+);dichloride
CID 46873182

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-[4-[3-[5-(2-hydroxy-3,3-dimethylbutoxy)-1,3,4-oxadiazol-2-yl]pentan-3-yl]phenoxy]hexanamide?
The IUPAC name of N-hydroxy-6-[4-[3-[5-(2-hydroxy-3,3-dimethylbutoxy)-1,3,4-oxadiazol-2-yl]pentan-3-yl]phenoxy]hexanamide (CID 178046335) is N-hydroxy-6-[4-[3-[5-(2-hydroxy-3,3-dimethylbutoxy)-1,3,4-oxadiazol-2-yl]pentan-3-yl]phenoxy]hexanamide.
What is the SMILES notation for N-hydroxy-6-[4-[3-[5-(2-hydroxy-3,3-dimethylbutoxy)-1,3,4-oxadiazol-2-yl]pentan-3-yl]phenoxy]hexanamide?
The canonical SMILES for N-hydroxy-6-[4-[3-[5-(2-hydroxy-3,3-dimethylbutoxy)-1,3,4-oxadiazol-2-yl]pentan-3-yl]phenoxy]hexanamide is CCC(CC)(c1ccc(OCCCCCC(=O)NO)cc1)c1nnc(OCC(O)C(C)(C)C)o1.
What is the InChIKey of N-hydroxy-6-[4-[3-[5-(2-hydroxy-3,3-dimethylbutoxy)-1,3,4-oxadiazol-2-yl]pentan-3-yl]phenoxy]hexanamide?
The InChIKey is RFUIUFJLTJWYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N3O6/c1-6-25(7-2,22-26-27-23(34-22)33-17-20(29)24(3,4)5)18-12-14-19(15-13-18)32-16-10-8-9-11-21(30)28-31/h12-15,20,29,31H,6-11,16-17H2,1-5H3,(H,28,30).
What are the key properties of N-hydroxy-6-[4-[3-[5-(2-hydroxy-3,3-dimethylbutoxy)-1,3,4-oxadiazol-2-yl]pentan-3-yl]phenoxy]hexanamide?
N-hydroxy-6-[4-[3-[5-(2-hydroxy-3,3-dimethylbutoxy)-1,3,4-oxadiazol-2-yl]pentan-3-yl]phenoxy]hexanamide has a molecular weight of 477.60 g/mol, XLogP of 4.41, 14 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-[4-[3-[5-(2-hydroxy-3,3-dimethylbutoxy)-1,3,4-oxadiazol-2-yl]pentan-3-yl]phenoxy]hexanamide is sourced from PubChem (CID 178046335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).