N-[3-hydroxy-1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]-4-phenylbenzamide

C17H18N2O4 — CID 70683179

IUPACN-[3-hydroxy-1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]-4-phenylbenzamide
SMILESCC(CO)(NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C17H18N2O4/c1-17(11-20,16(22)19-23)18-15(21)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10,20,23H,11H2,1H3,(H,18,21)(H,19,22)
InChIKeyGRSBQGZWMXNGLS-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.34
Rot. Bonds5

About N-[3-hydroxy-1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]-4-phenylbenzamide

N-[3-hydroxy-1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]-4-phenylbenzamide (PubChem CID 70683179) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-[3-hydroxy-1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[3-hydroxy-1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]-4-phenylbenzamide
PubChem CID70683179
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC NameN-[3-hydroxy-1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]-4-phenylbenzamide
SMILESCC(CO)(NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C17H18N2O4/c1-17(11-20,16(22)19-23)18-15(21)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10,20,23H,11H2,1H3,(H,18,21)(H,19,22)
InChIKeyGRSBQGZWMXNGLS-UHFFFAOYSA-N
XLogP1.34
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.34
H-Bond Donors ≤ 54
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-[3-hydroxy-1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]-4-phenylbenzamide?
The IUPAC name of N-[3-hydroxy-1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]-4-phenylbenzamide (CID 70683179) is N-[3-hydroxy-1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]-4-phenylbenzamide.
What is the SMILES notation for N-[3-hydroxy-1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]-4-phenylbenzamide?
The canonical SMILES for N-[3-hydroxy-1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]-4-phenylbenzamide is CC(CO)(NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NO.
What is the InChIKey of N-[3-hydroxy-1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]-4-phenylbenzamide?
The InChIKey is GRSBQGZWMXNGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-17(11-20,16(22)19-23)18-15(21)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10,20,23H,11H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-[3-hydroxy-1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]-4-phenylbenzamide?
N-[3-hydroxy-1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]-4-phenylbenzamide has a molecular weight of 314.34 g/mol, XLogP of 1.34, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]-4-phenylbenzamide is sourced from PubChem (CID 70683179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).