N-[6-(hydroxyamino)-6-oxohexoxy]-4-phenylbenzamide

C19H22N2O4 — CID 90681605

IUPACN-[6-(hydroxyamino)-6-oxohexoxy]-4-phenylbenzamide
SMILESO=C(CCCCCONC(=O)c1ccc(-c2ccccc2)cc1)NO
InChIInChI=1S/C19H22N2O4/c22-18(20-24)9-5-2-6-14-25-21-19(23)17-12-10-16(11-13-17)15-7-3-1-4-8-15/h1,3-4,7-8,10-13,24H,2,5-6,9,14H2,(H,20,22)(H,21,23)
InChIKeyCLZMCTXHAOPZIM-UHFFFAOYSA-N
MW342.39 g/mol
LogP3.08
Rot. Bonds9

About N-[6-(hydroxyamino)-6-oxohexoxy]-4-phenylbenzamide

N-[6-(hydroxyamino)-6-oxohexoxy]-4-phenylbenzamide (PubChem CID 90681605) has the molecular formula C19H22N2O4 and a molecular weight of 342.39 g/mol. Its IUPAC name is N-[6-(hydroxyamino)-6-oxohexoxy]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[6-(hydroxyamino)-6-oxohexoxy]-4-phenylbenzamide
PubChem CID90681605
Molecular FormulaC19H22N2O4
Molecular Weight342.39 g/mol
Exact Mass342.16
IUPAC NameN-[6-(hydroxyamino)-6-oxohexoxy]-4-phenylbenzamide
SMILESO=C(CCCCCONC(=O)c1ccc(-c2ccccc2)cc1)NO
InChIInChI=1S/C19H22N2O4/c22-18(20-24)9-5-2-6-14-25-21-19(23)17-12-10-16(11-13-17)15-7-3-1-4-8-15/h1,3-4,7-8,10-13,24H,2,5-6,9,14H2,(H,20,22)(H,21,23)
InChIKeyCLZMCTXHAOPZIM-UHFFFAOYSA-N
XLogP3.08
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[6-(hydroxyamino)-6-oxohexoxy]-4-phenylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-(hydroxyamino)-6-oxohexoxy]-4-phenylbenzamide?
The IUPAC name of N-[6-(hydroxyamino)-6-oxohexoxy]-4-phenylbenzamide (CID 90681605) is N-[6-(hydroxyamino)-6-oxohexoxy]-4-phenylbenzamide.
What is the SMILES notation for N-[6-(hydroxyamino)-6-oxohexoxy]-4-phenylbenzamide?
The canonical SMILES for N-[6-(hydroxyamino)-6-oxohexoxy]-4-phenylbenzamide is O=C(CCCCCONC(=O)c1ccc(-c2ccccc2)cc1)NO.
What is the InChIKey of N-[6-(hydroxyamino)-6-oxohexoxy]-4-phenylbenzamide?
The InChIKey is CLZMCTXHAOPZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c22-18(20-24)9-5-2-6-14-25-21-19(23)17-12-10-16(11-13-17)15-7-3-1-4-8-15/h1,3-4,7-8,10-13,24H,2,5-6,9,14H2,(H,20,22)(H,21,23).
What are the key properties of N-[6-(hydroxyamino)-6-oxohexoxy]-4-phenylbenzamide?
N-[6-(hydroxyamino)-6-oxohexoxy]-4-phenylbenzamide has a molecular weight of 342.39 g/mol, XLogP of 3.08, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(hydroxyamino)-6-oxohexoxy]-4-phenylbenzamide is sourced from PubChem (CID 90681605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).