N-hydroxy-N-[1-(2-phenyl-1-benzofuran-5-yl)ethyl]acetamide

C18H17NO3 — CID 10379749

IUPACN-hydroxy-N-[1-(2-phenyl-1-benzofuran-5-yl)ethyl]acetamide
SMILESCC(=O)N(O)C(C)c1ccc2oc(-c3ccccc3)cc2c1
InChIInChI=1S/C18H17NO3/c1-12(19(21)13(2)20)15-8-9-17-16(10-15)11-18(22-17)14-6-4-3-5-7-14/h3-12,21H,1-2H3
InChIKeyXMQURKAFXCOQAC-UHFFFAOYSA-N
MW295.34 g/mol
LogP4.40
Rot. Bonds3

About N-hydroxy-N-[1-(2-phenyl-1-benzofuran-5-yl)ethyl]acetamide

N-hydroxy-N-[1-(2-phenyl-1-benzofuran-5-yl)ethyl]acetamide (PubChem CID 10379749) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-hydroxy-N-[1-(2-phenyl-1-benzofuran-5-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-hydroxy-N-[1-(2-phenyl-1-benzofuran-5-yl)ethyl]acetamide
PubChem CID10379749
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC NameN-hydroxy-N-[1-(2-phenyl-1-benzofuran-5-yl)ethyl]acetamide
SMILESCC(=O)N(O)C(C)c1ccc2oc(-c3ccccc3)cc2c1
InChIInChI=1S/C18H17NO3/c1-12(19(21)13(2)20)15-8-9-17-16(10-15)11-18(22-17)14-6-4-3-5-7-14/h3-12,21H,1-2H3
InChIKeyXMQURKAFXCOQAC-UHFFFAOYSA-N
XLogP4.40
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 54.40
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-hydroxy-N-[1-(2-phenyl-1-benzofuran-5-yl)ethyl]acetamide?
The IUPAC name of N-hydroxy-N-[1-(2-phenyl-1-benzofuran-5-yl)ethyl]acetamide (CID 10379749) is N-hydroxy-N-[1-(2-phenyl-1-benzofuran-5-yl)ethyl]acetamide.
What is the SMILES notation for N-hydroxy-N-[1-(2-phenyl-1-benzofuran-5-yl)ethyl]acetamide?
The canonical SMILES for N-hydroxy-N-[1-(2-phenyl-1-benzofuran-5-yl)ethyl]acetamide is CC(=O)N(O)C(C)c1ccc2oc(-c3ccccc3)cc2c1.
What is the InChIKey of N-hydroxy-N-[1-(2-phenyl-1-benzofuran-5-yl)ethyl]acetamide?
The InChIKey is XMQURKAFXCOQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-12(19(21)13(2)20)15-8-9-17-16(10-15)11-18(22-17)14-6-4-3-5-7-14/h3-12,21H,1-2H3.
What are the key properties of N-hydroxy-N-[1-(2-phenyl-1-benzofuran-5-yl)ethyl]acetamide?
N-hydroxy-N-[1-(2-phenyl-1-benzofuran-5-yl)ethyl]acetamide has a molecular weight of 295.34 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[1-(2-phenyl-1-benzofuran-5-yl)ethyl]acetamide is sourced from PubChem (CID 10379749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).