2-(4-butoxyphenyl)-N-hydroxyacetamide

C12H17NO3 — CID 2466

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IUPAC2-(4-butoxyphenyl)-N-hydroxyacetamide
SMILESCCCCOc1ccc(CC(=O)NO)cc1
InChIInChI=1S/C12H17NO3/c1-2-3-8-16-11-6-4-10(5-7-11)9-12(14)13-15/h4-7,15H,2-3,8-9H2,1H3,(H,13,14)
InChIKeyMXJWRABVEGLYDG-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.91
Rot. Bonds6

About 2-(4-butoxyphenyl)-N-hydroxyacetamide

2-(4-butoxyphenyl)-N-hydroxyacetamide (PubChem CID 2466) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-(4-butoxyphenyl)-N-hydroxyacetamide.

Molecular Properties

Compound Name2-(4-butoxyphenyl)-N-hydroxyacetamide
PubChem CID2466
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-(4-butoxyphenyl)-N-hydroxyacetamide
SMILESCCCCOc1ccc(CC(=O)NO)cc1
InChIInChI=1S/C12H17NO3/c1-2-3-8-16-11-6-4-10(5-7-11)9-12(14)13-15/h4-7,15H,2-3,8-9H2,1H3,(H,13,14)
InChIKeyMXJWRABVEGLYDG-UHFFFAOYSA-N
XLogP1.91
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Desisopropylatenolol
CID 14211540
4-Butoxybenzeneacetamide
CID 76952
Acetohydroxamic acid, (p-propoxy)phenyl-
CID 25922
2-(4-Methoxyphenyl)acetamide
CID 241868
p-Ethoxybenzamide
CID 108776
N-hydroxy-7-(4-phenylphenoxy)heptanamide
CID 22915465
2-(4-Butoxy-phenyl)-N-hydroxy-N-methyl-acetamide
CID 44386193
N-Hydroxy-4-methoxybenzamide
CID 221131
A-161906
CID 9949740
N-hydroxy-7-(naphthalen-2-yloxy)heptanamide
CID 16655084
N-hydroxy-7-(4-methoxyphenyl)-7-oxoheptanamide
CID 10858374
N-hydroxy-8-(4-methoxyphenyl)-8-oxooctanamide
CID 10923922

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyphenyl)-N-hydroxyacetamide?
The IUPAC name of 2-(4-butoxyphenyl)-N-hydroxyacetamide (CID 2466) is 2-(4-butoxyphenyl)-N-hydroxyacetamide.
What is the SMILES notation for 2-(4-butoxyphenyl)-N-hydroxyacetamide?
The canonical SMILES for 2-(4-butoxyphenyl)-N-hydroxyacetamide is CCCCOc1ccc(CC(=O)NO)cc1.
What is the InChIKey of 2-(4-butoxyphenyl)-N-hydroxyacetamide?
The InChIKey is MXJWRABVEGLYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-2-3-8-16-11-6-4-10(5-7-11)9-12(14)13-15/h4-7,15H,2-3,8-9H2,1H3,(H,13,14).
What are the key properties of 2-(4-butoxyphenyl)-N-hydroxyacetamide?
2-(4-butoxyphenyl)-N-hydroxyacetamide has a molecular weight of 223.27 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyphenyl)-N-hydroxyacetamide is sourced from PubChem (CID 2466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).