N-hydroxy-N-[(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)methyl]acetamide

C17H15NO4 — CID 10637730

IUPACN-hydroxy-N-[(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)methyl]acetamide
SMILESCC(=O)N(O)Cc1ccc2c(c1)C(=O)c1ccccc1CO2
InChIInChI=1S/C17H15NO4/c1-11(19)18(21)9-12-6-7-16-15(8-12)17(20)14-5-3-2-4-13(14)10-22-16/h2-8,21H,9-10H2,1H3
InChIKeySUJAGQQQJQXABJ-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.55
Rot. Bonds2

About N-hydroxy-N-[(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)methyl]acetamide

N-hydroxy-N-[(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)methyl]acetamide (PubChem CID 10637730) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-hydroxy-N-[(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-hydroxy-N-[(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)methyl]acetamide
PubChem CID10637730
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC NameN-hydroxy-N-[(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)methyl]acetamide
SMILESCC(=O)N(O)Cc1ccc2c(c1)C(=O)c1ccccc1CO2
InChIInChI=1S/C17H15NO4/c1-11(19)18(21)9-12-6-7-16-15(8-12)17(20)14-5-3-2-4-13(14)10-22-16/h2-8,21H,9-10H2,1H3
InChIKeySUJAGQQQJQXABJ-UHFFFAOYSA-N
XLogP2.55
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)methyl]acetamide?
The IUPAC name of N-hydroxy-N-[(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)methyl]acetamide (CID 10637730) is N-hydroxy-N-[(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)methyl]acetamide.
What is the SMILES notation for N-hydroxy-N-[(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)methyl]acetamide?
The canonical SMILES for N-hydroxy-N-[(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)methyl]acetamide is CC(=O)N(O)Cc1ccc2c(c1)C(=O)c1ccccc1CO2.
What is the InChIKey of N-hydroxy-N-[(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)methyl]acetamide?
The InChIKey is SUJAGQQQJQXABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-11(19)18(21)9-12-6-7-16-15(8-12)17(20)14-5-3-2-4-13(14)10-22-16/h2-8,21H,9-10H2,1H3.
What are the key properties of N-hydroxy-N-[(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)methyl]acetamide?
N-hydroxy-N-[(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)methyl]acetamide has a molecular weight of 297.31 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)methyl]acetamide is sourced from PubChem (CID 10637730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).