N-[1-(4-butoxyphenyl)-2-methylpropyl]-N-hydroxyacetamide

C16H25NO3 — CID 14156781

IUPACN-[1-(4-butoxyphenyl)-2-methylpropyl]-N-hydroxyacetamide
SMILESCCCCOc1ccc(C(C(C)C)N(O)C(C)=O)cc1
InChIInChI=1S/C16H25NO3/c1-5-6-11-20-15-9-7-14(8-10-15)16(12(2)3)17(19)13(4)18/h7-10,12,16,19H,5-6,11H2,1-4H3
InChIKeyRAUASDLVGNDNQY-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.80
Rot. Bonds7

About N-[1-(4-butoxyphenyl)-2-methylpropyl]-N-hydroxyacetamide

N-[1-(4-butoxyphenyl)-2-methylpropyl]-N-hydroxyacetamide (PubChem CID 14156781) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[1-(4-butoxyphenyl)-2-methylpropyl]-N-hydroxyacetamide.

Molecular Properties

Compound NameN-[1-(4-butoxyphenyl)-2-methylpropyl]-N-hydroxyacetamide
PubChem CID14156781
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-[1-(4-butoxyphenyl)-2-methylpropyl]-N-hydroxyacetamide
SMILESCCCCOc1ccc(C(C(C)C)N(O)C(C)=O)cc1
InChIInChI=1S/C16H25NO3/c1-5-6-11-20-15-9-7-14(8-10-15)16(12(2)3)17(19)13(4)18/h7-10,12,16,19H,5-6,11H2,1-4H3
InChIKeyRAUASDLVGNDNQY-UHFFFAOYSA-N
XLogP3.80
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-butoxyphenyl)-2-methylpropyl]-N-hydroxyacetamide?
The IUPAC name of N-[1-(4-butoxyphenyl)-2-methylpropyl]-N-hydroxyacetamide (CID 14156781) is N-[1-(4-butoxyphenyl)-2-methylpropyl]-N-hydroxyacetamide.
What is the SMILES notation for N-[1-(4-butoxyphenyl)-2-methylpropyl]-N-hydroxyacetamide?
The canonical SMILES for N-[1-(4-butoxyphenyl)-2-methylpropyl]-N-hydroxyacetamide is CCCCOc1ccc(C(C(C)C)N(O)C(C)=O)cc1.
What is the InChIKey of N-[1-(4-butoxyphenyl)-2-methylpropyl]-N-hydroxyacetamide?
The InChIKey is RAUASDLVGNDNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-5-6-11-20-15-9-7-14(8-10-15)16(12(2)3)17(19)13(4)18/h7-10,12,16,19H,5-6,11H2,1-4H3.
What are the key properties of N-[1-(4-butoxyphenyl)-2-methylpropyl]-N-hydroxyacetamide?
N-[1-(4-butoxyphenyl)-2-methylpropyl]-N-hydroxyacetamide has a molecular weight of 279.38 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-butoxyphenyl)-2-methylpropyl]-N-hydroxyacetamide is sourced from PubChem (CID 14156781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).