2-(4-butylphenyl)-N-hydroxyacetamide

C12H17NO2 — CID 53315819

IUPAC2-(4-butylphenyl)-N-hydroxyacetamide
SMILESCCCCc1ccc(CC(=O)NO)cc1
InChIInChI=1S/C12H17NO2/c1-2-3-4-10-5-7-11(8-6-10)9-12(14)13-15/h5-8,15H,2-4,9H2,1H3,(H,13,14)
InChIKeyMICUQIINHNFYMW-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.08
Rot. Bonds5

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

2-(4-butylphenyl)-N-hydroxyacetamide (PubChem CID 53315819) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-(4-butylphenyl)-N-hydroxyacetamide.

Molecular Properties

Compound Name2-(4-butylphenyl)-N-hydroxyacetamide
PubChem CID53315819
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-(4-butylphenyl)-N-hydroxyacetamide
SMILESCCCCc1ccc(CC(=O)NO)cc1
InChIInChI=1S/C12H17NO2/c1-2-3-4-10-5-7-11(8-6-10)9-12(14)13-15/h5-8,15H,2-4,9H2,1H3,(H,13,14)
InChIKeyMICUQIINHNFYMW-UHFFFAOYSA-N
XLogP2.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.08
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 2-(4-butylphenyl)-N-hydroxyacetamide?
The IUPAC name of 2-(4-butylphenyl)-N-hydroxyacetamide (CID 53315819) is 2-(4-butylphenyl)-N-hydroxyacetamide.
What is the SMILES notation for 2-(4-butylphenyl)-N-hydroxyacetamide?
The canonical SMILES for 2-(4-butylphenyl)-N-hydroxyacetamide is CCCCc1ccc(CC(=O)NO)cc1.
What is the InChIKey of 2-(4-butylphenyl)-N-hydroxyacetamide?
The InChIKey is MICUQIINHNFYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-2-3-4-10-5-7-11(8-6-10)9-12(14)13-15/h5-8,15H,2-4,9H2,1H3,(H,13,14).
What are the key properties of 2-(4-butylphenyl)-N-hydroxyacetamide?
2-(4-butylphenyl)-N-hydroxyacetamide has a molecular weight of 207.27 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-N-hydroxyacetamide is sourced from PubChem (CID 53315819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).