(8E)-8-(1-benzofuran-2-yl)-N-hydroxy-8-hydroxyiminooctanamide

C16H20N2O4 — CID 23072393

IUPAC(8E)-8-(1-benzofuran-2-yl)-N-hydroxy-8-hydroxyiminooctanamide
SMILESO=C(CCCCCC/C(=N\O)c1cc2ccccc2o1)NO
InChIInChI=1S/C16H20N2O4/c19-16(18-21)10-4-2-1-3-8-13(17-20)15-11-12-7-5-6-9-14(12)22-15/h5-7,9,11,20-21H,1-4,8,10H2,(H,18,19)/b17-13+
InChIKeyLBAPHCCTFHVQPX-GHRIWEEISA-N
MW304.35 g/mol
LogP3.46
Rot. Bonds8

About (8E)-8-(1-benzofuran-2-yl)-N-hydroxy-8-hydroxyiminooctanamide

(8E)-8-(1-benzofuran-2-yl)-N-hydroxy-8-hydroxyiminooctanamide (PubChem CID 23072393) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is (8E)-8-(1-benzofuran-2-yl)-N-hydroxy-8-hydroxyiminooctanamide.

Molecular Properties

Compound Name(8E)-8-(1-benzofuran-2-yl)-N-hydroxy-8-hydroxyiminooctanamide
PubChem CID23072393
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name(8E)-8-(1-benzofuran-2-yl)-N-hydroxy-8-hydroxyiminooctanamide
SMILESO=C(CCCCCC/C(=N\O)c1cc2ccccc2o1)NO
InChIInChI=1S/C16H20N2O4/c19-16(18-21)10-4-2-1-3-8-13(17-20)15-11-12-7-5-6-9-14(12)22-15/h5-7,9,11,20-21H,1-4,8,10H2,(H,18,19)/b17-13+
InChIKeyLBAPHCCTFHVQPX-GHRIWEEISA-N
XLogP3.46
TPSA95.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(8E)-N-hydroxy-8-hydroxyimino-8-(4-phenylphenyl)octanamide
CID 10088613
3-amino-1-(1-benzofuran-2-yl)propan-1-one
CID 82275110
7-amino-N-[1-(1-benzofuran-2-yl)ethyl]heptanamide
CID 43708933
1-(1-benzofuran-2-yl)-3-(methylamino)propan-1-one
CID 114736388
N'-hydroxy-N-(2-oxochromen-6-yl)octanediamide
CID 86581290
1-(1-benzofuran-2-yl)ethanone
CID 15435
N-[(2S)-3-hydroxy-1-[4-[4-(hydroxyamino)-4-oxobutyl]piperidin-1-yl]-1-oxopropan-2-yl]-1-benzofuran-2-carboxamide
CID 91331675
1-(1-benzofuran-2-yl)-3,3-dimethylbutan-1-one
CID 114725277
7-[4-(1-benzofuran-2-yl)-N-thiophen-2-ylsulfonylanilino]-N-hydroxyheptanamide
CID 11329486
1-benzofuran-2-carboxamide;hydrate;dihydrochloride
CID 144595737
N-hydroxy-6-(2-oxochromen-6-yl)oxyhexanamide
CID 86580851
1-(1-benzofuran-2-yl)pentane-1,3-dione
CID 28896262

Frequently Asked Questions

What is the IUPAC name of (8E)-8-(1-benzofuran-2-yl)-N-hydroxy-8-hydroxyiminooctanamide?
The IUPAC name of (8E)-8-(1-benzofuran-2-yl)-N-hydroxy-8-hydroxyiminooctanamide (CID 23072393) is (8E)-8-(1-benzofuran-2-yl)-N-hydroxy-8-hydroxyiminooctanamide.
What is the SMILES notation for (8E)-8-(1-benzofuran-2-yl)-N-hydroxy-8-hydroxyiminooctanamide?
The canonical SMILES for (8E)-8-(1-benzofuran-2-yl)-N-hydroxy-8-hydroxyiminooctanamide is O=C(CCCCCC/C(=N\O)c1cc2ccccc2o1)NO.
What is the InChIKey of (8E)-8-(1-benzofuran-2-yl)-N-hydroxy-8-hydroxyiminooctanamide?
The InChIKey is LBAPHCCTFHVQPX-GHRIWEEISA-N. The full InChI is InChI=1S/C16H20N2O4/c19-16(18-21)10-4-2-1-3-8-13(17-20)15-11-12-7-5-6-9-14(12)22-15/h5-7,9,11,20-21H,1-4,8,10H2,(H,18,19)/b17-13+.
What are the key properties of (8E)-8-(1-benzofuran-2-yl)-N-hydroxy-8-hydroxyiminooctanamide?
(8E)-8-(1-benzofuran-2-yl)-N-hydroxy-8-hydroxyiminooctanamide has a molecular weight of 304.35 g/mol, XLogP of 3.46, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-8-(1-benzofuran-2-yl)-N-hydroxy-8-hydroxyiminooctanamide is sourced from PubChem (CID 23072393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).