N-[1-(2-butyl-1-benzofuran-5-yl)ethyl]-N-hydroxyacetamide

C16H21NO3 — CID 10265422

IUPACN-[1-(2-butyl-1-benzofuran-5-yl)ethyl]-N-hydroxyacetamide
SMILESCCCCc1cc2cc(C(C)N(O)C(C)=O)ccc2o1
InChIInChI=1S/C16H21NO3/c1-4-5-6-15-10-14-9-13(7-8-16(14)20-15)11(2)17(19)12(3)18/h7-11,19H,4-6H2,1-3H3
InChIKeyJRCJUZHTNAMGBL-UHFFFAOYSA-N
MW275.35 g/mol
LogP4.07
Rot. Bonds5

About N-[1-(2-butyl-1-benzofuran-5-yl)ethyl]-N-hydroxyacetamide

N-[1-(2-butyl-1-benzofuran-5-yl)ethyl]-N-hydroxyacetamide (PubChem CID 10265422) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[1-(2-butyl-1-benzofuran-5-yl)ethyl]-N-hydroxyacetamide.

Molecular Properties

Compound NameN-[1-(2-butyl-1-benzofuran-5-yl)ethyl]-N-hydroxyacetamide
PubChem CID10265422
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-[1-(2-butyl-1-benzofuran-5-yl)ethyl]-N-hydroxyacetamide
SMILESCCCCc1cc2cc(C(C)N(O)C(C)=O)ccc2o1
InChIInChI=1S/C16H21NO3/c1-4-5-6-15-10-14-9-13(7-8-16(14)20-15)11(2)17(19)12(3)18/h7-11,19H,4-6H2,1-3H3
InChIKeyJRCJUZHTNAMGBL-UHFFFAOYSA-N
XLogP4.07
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[1-(2-butyl-1-benzofuran-5-yl)ethyl]-N-hydroxyacetamide?
The IUPAC name of N-[1-(2-butyl-1-benzofuran-5-yl)ethyl]-N-hydroxyacetamide (CID 10265422) is N-[1-(2-butyl-1-benzofuran-5-yl)ethyl]-N-hydroxyacetamide.
What is the SMILES notation for N-[1-(2-butyl-1-benzofuran-5-yl)ethyl]-N-hydroxyacetamide?
The canonical SMILES for N-[1-(2-butyl-1-benzofuran-5-yl)ethyl]-N-hydroxyacetamide is CCCCc1cc2cc(C(C)N(O)C(C)=O)ccc2o1.
What is the InChIKey of N-[1-(2-butyl-1-benzofuran-5-yl)ethyl]-N-hydroxyacetamide?
The InChIKey is JRCJUZHTNAMGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-4-5-6-15-10-14-9-13(7-8-16(14)20-15)11(2)17(19)12(3)18/h7-11,19H,4-6H2,1-3H3.
What are the key properties of N-[1-(2-butyl-1-benzofuran-5-yl)ethyl]-N-hydroxyacetamide?
N-[1-(2-butyl-1-benzofuran-5-yl)ethyl]-N-hydroxyacetamide has a molecular weight of 275.35 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-butyl-1-benzofuran-5-yl)ethyl]-N-hydroxyacetamide is sourced from PubChem (CID 10265422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).