2-[1-(1-benzofuran-2-yl)ethenylamino]oxy-N-butylacetamide

C16H20N2O3 — CID 2127938

IUPAC2-[1-(1-benzofuran-2-yl)ethenylamino]oxy-N-butylacetamide
SMILESC=C(NOCC(=O)NCCCC)c1cc2ccccc2o1
InChIInChI=1S/C16H20N2O3/c1-3-4-9-17-16(19)11-20-18-12(2)15-10-13-7-5-6-8-14(13)21-15/h5-8,10,18H,2-4,9,11H2,1H3,(H,17,19)
InChIKeyGGZHYMHBRARKDX-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.84
Rot. Bonds8

About 2-[1-(1-benzofuran-2-yl)ethenylamino]oxy-N-butylacetamide

2-[1-(1-benzofuran-2-yl)ethenylamino]oxy-N-butylacetamide (PubChem CID 2127938) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[1-(1-benzofuran-2-yl)ethenylamino]oxy-N-butylacetamide.

Molecular Properties

Compound Name2-[1-(1-benzofuran-2-yl)ethenylamino]oxy-N-butylacetamide
PubChem CID2127938
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[1-(1-benzofuran-2-yl)ethenylamino]oxy-N-butylacetamide
SMILESC=C(NOCC(=O)NCCCC)c1cc2ccccc2o1
InChIInChI=1S/C16H20N2O3/c1-3-4-9-17-16(19)11-20-18-12(2)15-10-13-7-5-6-8-14(13)21-15/h5-8,10,18H,2-4,9,11H2,1H3,(H,17,19)
InChIKeyGGZHYMHBRARKDX-UHFFFAOYSA-N
XLogP2.84
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[1-(1-benzofuran-2-yl)ethenylamino]oxy-N-butylacetamide?
The IUPAC name of 2-[1-(1-benzofuran-2-yl)ethenylamino]oxy-N-butylacetamide (CID 2127938) is 2-[1-(1-benzofuran-2-yl)ethenylamino]oxy-N-butylacetamide.
What is the SMILES notation for 2-[1-(1-benzofuran-2-yl)ethenylamino]oxy-N-butylacetamide?
The canonical SMILES for 2-[1-(1-benzofuran-2-yl)ethenylamino]oxy-N-butylacetamide is C=C(NOCC(=O)NCCCC)c1cc2ccccc2o1.
What is the InChIKey of 2-[1-(1-benzofuran-2-yl)ethenylamino]oxy-N-butylacetamide?
The InChIKey is GGZHYMHBRARKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-3-4-9-17-16(19)11-20-18-12(2)15-10-13-7-5-6-8-14(13)21-15/h5-8,10,18H,2-4,9,11H2,1H3,(H,17,19).
What are the key properties of 2-[1-(1-benzofuran-2-yl)ethenylamino]oxy-N-butylacetamide?
2-[1-(1-benzofuran-2-yl)ethenylamino]oxy-N-butylacetamide has a molecular weight of 288.35 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-benzofuran-2-yl)ethenylamino]oxy-N-butylacetamide is sourced from PubChem (CID 2127938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).