N-hydroxy-2-[4-[3-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]acetamide

C25H35NO5 — CID 71616706

IUPACN-hydroxy-2-[4-[3-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]acetamide
SMILESCCC(CC)(c1ccc(OCC(=O)NO)c(C)c1)c1ccc(OCC(C)(C)O)c(C)c1
InChIInChI=1S/C25H35NO5/c1-7-25(8-2,19-9-11-21(17(3)13-19)30-15-23(27)26-29)20-10-12-22(18(4)14-20)31-16-24(5,6)28/h9-14,28-29H,7-8,15-16H2,1-6H3,(H,26,27)
InChIKeyJSGWCMHXUIIPHK-UHFFFAOYSA-N
MW429.56 g/mol
LogP4.44
Rot. Bonds10

About N-hydroxy-2-[4-[3-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]acetamide

N-hydroxy-2-[4-[3-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]acetamide (PubChem CID 71616706) has the molecular formula C25H35NO5 and a molecular weight of 429.56 g/mol. Its IUPAC name is N-hydroxy-2-[4-[3-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-[3-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]acetamide
PubChem CID71616706
Molecular FormulaC25H35NO5
Molecular Weight429.56 g/mol
Exact Mass429.25
IUPAC NameN-hydroxy-2-[4-[3-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]acetamide
SMILESCCC(CC)(c1ccc(OCC(=O)NO)c(C)c1)c1ccc(OCC(C)(C)O)c(C)c1
InChIInChI=1S/C25H35NO5/c1-7-25(8-2,19-9-11-21(17(3)13-19)30-15-23(27)26-29)20-10-12-22(18(4)14-20)31-16-24(5,6)28/h9-14,28-29H,7-8,15-16H2,1-6H3,(H,26,27)
InChIKeyJSGWCMHXUIIPHK-UHFFFAOYSA-N
XLogP4.44
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[4-[3-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]acetamide?
The IUPAC name of N-hydroxy-2-[4-[3-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]acetamide (CID 71616706) is N-hydroxy-2-[4-[3-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]acetamide.
What is the SMILES notation for N-hydroxy-2-[4-[3-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]acetamide?
The canonical SMILES for N-hydroxy-2-[4-[3-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]acetamide is CCC(CC)(c1ccc(OCC(=O)NO)c(C)c1)c1ccc(OCC(C)(C)O)c(C)c1.
What is the InChIKey of N-hydroxy-2-[4-[3-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]acetamide?
The InChIKey is JSGWCMHXUIIPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO5/c1-7-25(8-2,19-9-11-21(17(3)13-19)30-15-23(27)26-29)20-10-12-22(18(4)14-20)31-16-24(5,6)28/h9-14,28-29H,7-8,15-16H2,1-6H3,(H,26,27).
What are the key properties of N-hydroxy-2-[4-[3-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]acetamide?
N-hydroxy-2-[4-[3-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]acetamide has a molecular weight of 429.56 g/mol, XLogP of 4.44, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-[3-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]acetamide is sourced from PubChem (CID 71616706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).