N-hydroxy-2-[4-(2-methylpropyl)phenyl]acetamide

C12H17NO2 — CID 18772

IUPACN-hydroxy-2-[4-(2-methylpropyl)phenyl]acetamide
SMILESCC(C)Cc1ccc(CC(=O)NO)cc1
InChIInChI=1S/C12H17NO2/c1-9(2)7-10-3-5-11(6-4-10)8-12(14)13-15/h3-6,9,15H,7-8H2,1-2H3,(H,13,14)
InChIKeyKXWBJMRKTBNVNY-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.93
Rot. Bonds4

About N-hydroxy-2-[4-(2-methylpropyl)phenyl]acetamide

N-hydroxy-2-[4-(2-methylpropyl)phenyl]acetamide (PubChem CID 18772) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-hydroxy-2-[4-(2-methylpropyl)phenyl]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-(2-methylpropyl)phenyl]acetamide
PubChem CID18772
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-hydroxy-2-[4-(2-methylpropyl)phenyl]acetamide
SMILESCC(C)Cc1ccc(CC(=O)NO)cc1
InChIInChI=1S/C12H17NO2/c1-9(2)7-10-3-5-11(6-4-10)8-12(14)13-15/h3-6,9,15H,7-8H2,1-2H3,(H,13,14)
InChIKeyKXWBJMRKTBNVNY-UHFFFAOYSA-N
XLogP1.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(2-methylpropyl)phenyl]acetamide?
The IUPAC name of N-hydroxy-2-[4-(2-methylpropyl)phenyl]acetamide (CID 18772) is N-hydroxy-2-[4-(2-methylpropyl)phenyl]acetamide.
What is the SMILES notation for N-hydroxy-2-[4-(2-methylpropyl)phenyl]acetamide?
The canonical SMILES for N-hydroxy-2-[4-(2-methylpropyl)phenyl]acetamide is CC(C)Cc1ccc(CC(=O)NO)cc1.
What is the InChIKey of N-hydroxy-2-[4-(2-methylpropyl)phenyl]acetamide?
The InChIKey is KXWBJMRKTBNVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9(2)7-10-3-5-11(6-4-10)8-12(14)13-15/h3-6,9,15H,7-8H2,1-2H3,(H,13,14).
What are the key properties of N-hydroxy-2-[4-(2-methylpropyl)phenyl]acetamide?
N-hydroxy-2-[4-(2-methylpropyl)phenyl]acetamide has a molecular weight of 207.27 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-(2-methylpropyl)phenyl]acetamide is sourced from PubChem (CID 18772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).