N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methoxy]benzamide

C17H16N2O4 — CID 155529646

IUPACN-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methoxy]benzamide
SMILESO=C(/C=C/c1ccc(CONC(=O)c2ccccc2)cc1)NO
InChIInChI=1S/C17H16N2O4/c20-16(18-22)11-10-13-6-8-14(9-7-13)12-23-19-17(21)15-4-2-1-3-5-15/h1-11,22H,12H2,(H,18,20)(H,19,21)/b11-10+
InChIKeyXUDGFSLSTQTBEB-ZHACJKMWSA-N
MW312.33 g/mol
LogP2.07
Rot. Bonds6

About N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methoxy]benzamide

N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methoxy]benzamide (PubChem CID 155529646) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methoxy]benzamide.

Molecular Properties

Compound NameN-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methoxy]benzamide
PubChem CID155529646
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC NameN-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methoxy]benzamide
SMILESO=C(/C=C/c1ccc(CONC(=O)c2ccccc2)cc1)NO
InChIInChI=1S/C17H16N2O4/c20-16(18-22)11-10-13-6-8-14(9-7-13)12-23-19-17(21)15-4-2-1-3-5-15/h1-11,22H,12H2,(H,18,20)(H,19,21)/b11-10+
InChIKeyXUDGFSLSTQTBEB-ZHACJKMWSA-N
XLogP2.07
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methoxy]benzamide?
The IUPAC name of N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methoxy]benzamide (CID 155529646) is N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methoxy]benzamide.
What is the SMILES notation for N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methoxy]benzamide?
The canonical SMILES for N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methoxy]benzamide is O=C(/C=C/c1ccc(CONC(=O)c2ccccc2)cc1)NO.
What is the InChIKey of N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methoxy]benzamide?
The InChIKey is XUDGFSLSTQTBEB-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H16N2O4/c20-16(18-22)11-10-13-6-8-14(9-7-13)12-23-19-17(21)15-4-2-1-3-5-15/h1-11,22H,12H2,(H,18,20)(H,19,21)/b11-10+.
What are the key properties of N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methoxy]benzamide?
N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methoxy]benzamide has a molecular weight of 312.33 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methoxy]benzamide is sourced from PubChem (CID 155529646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).