N-hydroxy-8-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenyl]-8-oxooctanamide

C32H47NO5 — CID 157444540

IUPACN-hydroxy-8-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenyl]-8-oxooctanamide
SMILESCCC(CC)(c1ccc(C(=O)CCCCCCC(=O)NO)cc1)c1ccc(OCC(O)C(C)(C)C)c(C)c1
InChIInChI=1S/C32H47NO5/c1-7-32(8-2,26-19-20-28(23(3)21-26)38-22-29(35)31(4,5)6)25-17-15-24(16-18-25)27(34)13-11-9-10-12-14-30(36)33-37/h15-21,29,35,37H,7-14,22H2,1-6H3,(H,33,36)
InChIKeyBSBIIYRKWFTKAC-UHFFFAOYSA-N
MW525.73 g/mol
LogP6.92
Rot. Bonds15

About N-hydroxy-8-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenyl]-8-oxooctanamide

N-hydroxy-8-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenyl]-8-oxooctanamide (PubChem CID 157444540) has the molecular formula C32H47NO5 and a molecular weight of 525.73 g/mol. Its IUPAC name is N-hydroxy-8-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenyl]-8-oxooctanamide.

Molecular Properties

Compound NameN-hydroxy-8-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenyl]-8-oxooctanamide
PubChem CID157444540
Molecular FormulaC32H47NO5
Molecular Weight525.73 g/mol
Exact Mass525.35
IUPAC NameN-hydroxy-8-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenyl]-8-oxooctanamide
SMILESCCC(CC)(c1ccc(C(=O)CCCCCCC(=O)NO)cc1)c1ccc(OCC(O)C(C)(C)C)c(C)c1
InChIInChI=1S/C32H47NO5/c1-7-32(8-2,26-19-20-28(23(3)21-26)38-22-29(35)31(4,5)6)25-17-15-24(16-18-25)27(34)13-11-9-10-12-14-30(36)33-37/h15-21,29,35,37H,7-14,22H2,1-6H3,(H,33,36)
InChIKeyBSBIIYRKWFTKAC-UHFFFAOYSA-N
XLogP6.92
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.73
LogP ≤ 56.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-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
7-[4-[3-[4-(3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]-N-hydroxyheptanamide
CID 134426097
1-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]-3,3-dimethylbutan-2-one
CID 15521396
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-[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-[[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]methyl]methanesulfinamide
CID 10321987
4-[3-[3-chloro-4-(2-hydroxy-3,3-dimethylbutoxy)phenyl]pentan-3-yl]benzoic acid
CID 10387333
1-(4-tert-butyl-2-methylphenoxy)-3,3-dimethylbutan-2-ol
CID 63467018
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-[[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]methyl]ethanesulfonamide
CID 10005775

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-8-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenyl]-8-oxooctanamide?
The IUPAC name of N-hydroxy-8-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenyl]-8-oxooctanamide (CID 157444540) is N-hydroxy-8-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenyl]-8-oxooctanamide.
What is the SMILES notation for N-hydroxy-8-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenyl]-8-oxooctanamide?
The canonical SMILES for N-hydroxy-8-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenyl]-8-oxooctanamide is CCC(CC)(c1ccc(C(=O)CCCCCCC(=O)NO)cc1)c1ccc(OCC(O)C(C)(C)C)c(C)c1.
What is the InChIKey of N-hydroxy-8-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenyl]-8-oxooctanamide?
The InChIKey is BSBIIYRKWFTKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H47NO5/c1-7-32(8-2,26-19-20-28(23(3)21-26)38-22-29(35)31(4,5)6)25-17-15-24(16-18-25)27(34)13-11-9-10-12-14-30(36)33-37/h15-21,29,35,37H,7-14,22H2,1-6H3,(H,33,36).
What are the key properties of N-hydroxy-8-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenyl]-8-oxooctanamide?
N-hydroxy-8-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenyl]-8-oxooctanamide has a molecular weight of 525.73 g/mol, XLogP of 6.92, 15 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-8-[4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]phenyl]-8-oxooctanamide is sourced from PubChem (CID 157444540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).