N-[6-(hydroxyamino)-6-oxohexyl]-4-[3-[5-(2-hydroxy-3,3-dimethylbutoxy)-4-methyl-1,3-oxazol-2-yl]pentan-3-yl]benzamide

C28H43N3O6 — CID 178046342

IUPACN-[6-(hydroxyamino)-6-oxohexyl]-4-[3-[5-(2-hydroxy-3,3-dimethylbutoxy)-4-methyl-1,3-oxazol-2-yl]pentan-3-yl]benzamide
SMILESCCC(CC)(c1ccc(C(=O)NCCCCCC(=O)NO)cc1)c1nc(C)c(OCC(O)C(C)(C)C)o1
InChIInChI=1S/C28H43N3O6/c1-7-28(8-2,26-30-19(3)25(37-26)36-18-22(32)27(4,5)6)21-15-13-20(14-16-21)24(34)29-17-11-9-10-12-23(33)31-35/h13-16,22,32,35H,7-12,17-18H2,1-6H3,(H,29,34)(H,31,33)
InChIKeyMFYJVEQFDVMJPZ-UHFFFAOYSA-N
MW517.67 g/mol
LogP4.67
Rot. Bonds14

About N-[6-(hydroxyamino)-6-oxohexyl]-4-[3-[5-(2-hydroxy-3,3-dimethylbutoxy)-4-methyl-1,3-oxazol-2-yl]pentan-3-yl]benzamide

N-[6-(hydroxyamino)-6-oxohexyl]-4-[3-[5-(2-hydroxy-3,3-dimethylbutoxy)-4-methyl-1,3-oxazol-2-yl]pentan-3-yl]benzamide (PubChem CID 178046342) has the molecular formula C28H43N3O6 and a molecular weight of 517.67 g/mol. Its IUPAC name is N-[6-(hydroxyamino)-6-oxohexyl]-4-[3-[5-(2-hydroxy-3,3-dimethylbutoxy)-4-methyl-1,3-oxazol-2-yl]pentan-3-yl]benzamide.

Molecular Properties

Compound NameN-[6-(hydroxyamino)-6-oxohexyl]-4-[3-[5-(2-hydroxy-3,3-dimethylbutoxy)-4-methyl-1,3-oxazol-2-yl]pentan-3-yl]benzamide
PubChem CID178046342
Molecular FormulaC28H43N3O6
Molecular Weight517.67 g/mol
Exact Mass517.32
IUPAC NameN-[6-(hydroxyamino)-6-oxohexyl]-4-[3-[5-(2-hydroxy-3,3-dimethylbutoxy)-4-methyl-1,3-oxazol-2-yl]pentan-3-yl]benzamide
SMILESCCC(CC)(c1ccc(C(=O)NCCCCCC(=O)NO)cc1)c1nc(C)c(OCC(O)C(C)(C)C)o1
InChIInChI=1S/C28H43N3O6/c1-7-28(8-2,26-30-19(3)25(37-26)36-18-22(32)27(4,5)6)21-15-13-20(14-16-21)24(34)29-17-11-9-10-12-23(33)31-35/h13-16,22,32,35H,7-12,17-18H2,1-6H3,(H,29,34)(H,31,33)
InChIKeyMFYJVEQFDVMJPZ-UHFFFAOYSA-N
XLogP4.67
TPSA133.92 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.67
LogP ≤ 54.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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-8-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenyl]-8-oxooctanamide
CID 157444540
N-hydroxy-6-[4-[3-[5-(2-hydroxy-3,3-dimethylbutoxy)-1,3,4-oxadiazol-2-yl]pentan-3-yl]phenoxy]hexanamide
CID 178046335
N-hydroxy-8-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-8-oxooctanamide
CID 157095786
N-hydroxy-7-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]heptanamide
CID 71616935
N-hydroxy-4-[4-[3-[4-[(2R)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]butanamide
CID 71616709
N-[7-(hydroxyamino)-7-oxoheptyl]-4-(4-methoxy-N-(4-methoxyphenyl)anilino)benzamide
CID 53340782
N-[7-(hydroxyamino)-7-oxoheptyl]-4-(methylamino)benzamide
CID 122548362
4-(dimethylamino)-N-[6-(hydroxyamino)-6-oxohexyl]benzamide
CID 3811
4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide
CID 3415356
4-(4-chlorophenyl)-N-[6-(hydroxyamino)-6-oxohexyl]benzamide
CID 10133172
N-[6-(hydroxyamino)-6-oxohexyl]-2-methoxyquinoline-6-carboxamide
CID 86581151

Frequently Asked Questions

What is the IUPAC name of N-[6-(hydroxyamino)-6-oxohexyl]-4-[3-[5-(2-hydroxy-3,3-dimethylbutoxy)-4-methyl-1,3-oxazol-2-yl]pentan-3-yl]benzamide?
The IUPAC name of 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) is N-[6-(hydroxyamino)-6-oxohexyl]-4-[3-[5-(2-hydroxy-3,3-dimethylbutoxy)-4-methyl-1,3-oxazol-2-yl]pentan-3-yl]benzamide.
What is the SMILES notation for N-[6-(hydroxyamino)-6-oxohexyl]-4-[3-[5-(2-hydroxy-3,3-dimethylbutoxy)-4-methyl-1,3-oxazol-2-yl]pentan-3-yl]benzamide?
The canonical SMILES for N-[6-(hydroxyamino)-6-oxohexyl]-4-[3-[5-(2-hydroxy-3,3-dimethylbutoxy)-4-methyl-1,3-oxazol-2-yl]pentan-3-yl]benzamide is CCC(CC)(c1ccc(C(=O)NCCCCCC(=O)NO)cc1)c1nc(C)c(OCC(O)C(C)(C)C)o1.
What is the InChIKey of N-[6-(hydroxyamino)-6-oxohexyl]-4-[3-[5-(2-hydroxy-3,3-dimethylbutoxy)-4-methyl-1,3-oxazol-2-yl]pentan-3-yl]benzamide?
The InChIKey is MFYJVEQFDVMJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43N3O6/c1-7-28(8-2,26-30-19(3)25(37-26)36-18-22(32)27(4,5)6)21-15-13-20(14-16-21)24(34)29-17-11-9-10-12-23(33)31-35/h13-16,22,32,35H,7-12,17-18H2,1-6H3,(H,29,34)(H,31,33).
What are the key properties of N-[6-(hydroxyamino)-6-oxohexyl]-4-[3-[5-(2-hydroxy-3,3-dimethylbutoxy)-4-methyl-1,3-oxazol-2-yl]pentan-3-yl]benzamide?
N-[6-(hydroxyamino)-6-oxohexyl]-4-[3-[5-(2-hydroxy-3,3-dimethylbutoxy)-4-methyl-1,3-oxazol-2-yl]pentan-3-yl]benzamide has a molecular weight of 517.67 g/mol, XLogP of 4.67, 14 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(hydroxyamino)-6-oxohexyl]-4-[3-[5-(2-hydroxy-3,3-dimethylbutoxy)-4-methyl-1,3-oxazol-2-yl]pentan-3-yl]benzamide is sourced from PubChem (CID 178046342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).