4-benzoyl-N-[(2S)-2-hydroxy-4-(hydroxyamino)-4-oxobutyl]benzamide

C18H18N2O5 — CID 87793057

IUPAC4-benzoyl-N-[(2S)-2-hydroxy-4-(hydroxyamino)-4-oxobutyl]benzamide
SMILESO=C(C[C@H](O)CNC(=O)c1ccc(C(=O)c2ccccc2)cc1)NO
InChIInChI=1S/C18H18N2O5/c21-15(10-16(22)20-25)11-19-18(24)14-8-6-13(7-9-14)17(23)12-4-2-1-3-5-12/h1-9,15,21,25H,10-11H2,(H,19,24)(H,20,22)/t15-/m0/s1
InChIKeyHRAGJQDOXCHTRE-HNNXBMFYSA-N
MW342.35 g/mol
LogP0.90
Rot. Bonds7

About 4-benzoyl-N-[(2S)-2-hydroxy-4-(hydroxyamino)-4-oxobutyl]benzamide

4-benzoyl-N-[(2S)-2-hydroxy-4-(hydroxyamino)-4-oxobutyl]benzamide (PubChem CID 87793057) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is 4-benzoyl-N-[(2S)-2-hydroxy-4-(hydroxyamino)-4-oxobutyl]benzamide.

Molecular Properties

Compound Name4-benzoyl-N-[(2S)-2-hydroxy-4-(hydroxyamino)-4-oxobutyl]benzamide
PubChem CID87793057
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name4-benzoyl-N-[(2S)-2-hydroxy-4-(hydroxyamino)-4-oxobutyl]benzamide
SMILESO=C(C[C@H](O)CNC(=O)c1ccc(C(=O)c2ccccc2)cc1)NO
InChIInChI=1S/C18H18N2O5/c21-15(10-16(22)20-25)11-19-18(24)14-8-6-13(7-9-14)17(23)12-4-2-1-3-5-12/h1-9,15,21,25H,10-11H2,(H,19,24)(H,20,22)/t15-/m0/s1
InChIKeyHRAGJQDOXCHTRE-HNNXBMFYSA-N
XLogP0.90
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 50.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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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Related Compounds

bis((3R)-4-benzamido-3-hydroxybutanoate);hydron
CID 139147917
4-benzoyl-N-(2-methylbutyl)benzamide
CID 90855239
(2S)-2-amino-N-[(2R)-2-hydroxy-4-(hydroxyamino)-4-oxobutyl]-4-phenylbutanamide
CID 87102990
N-(4-amino-2-hydroxy-4-oxobutyl)-4-(4-phenylbuta-1,3-diynyl)benzamide
CID 87991245
N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 6542363
methyl (2R)-3-benzamido-2-hydroxypropanoate
CID 100946416
N-[2-hydroxy-3-(hydroxyamino)-3-oxopropyl]-4-phenylbenzamide
CID 59697016
N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
CID 20598592
4-benzamido-3-methylbutanoic acid
CID 81064617
4-bromo-N-[(2R)-2-hydroxy-2-phenylethyl]benzamide
CID 6936176
N-(2-hydroxypropyl)-4-phenylbenzamide
CID 43391038
4-[2-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]ethynyl]-N-[(2S)-2-hydroxy-4-(hydroxyamino)-4-oxobutyl]benzamide
CID 87103028

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-[(2S)-2-hydroxy-4-(hydroxyamino)-4-oxobutyl]benzamide?
The IUPAC name of 4-benzoyl-N-[(2S)-2-hydroxy-4-(hydroxyamino)-4-oxobutyl]benzamide (CID 87793057) is 4-benzoyl-N-[(2S)-2-hydroxy-4-(hydroxyamino)-4-oxobutyl]benzamide.
What is the SMILES notation for 4-benzoyl-N-[(2S)-2-hydroxy-4-(hydroxyamino)-4-oxobutyl]benzamide?
The canonical SMILES for 4-benzoyl-N-[(2S)-2-hydroxy-4-(hydroxyamino)-4-oxobutyl]benzamide is O=C(C[C@H](O)CNC(=O)c1ccc(C(=O)c2ccccc2)cc1)NO.
What is the InChIKey of 4-benzoyl-N-[(2S)-2-hydroxy-4-(hydroxyamino)-4-oxobutyl]benzamide?
The InChIKey is HRAGJQDOXCHTRE-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H18N2O5/c21-15(10-16(22)20-25)11-19-18(24)14-8-6-13(7-9-14)17(23)12-4-2-1-3-5-12/h1-9,15,21,25H,10-11H2,(H,19,24)(H,20,22)/t15-/m0/s1.
What are the key properties of 4-benzoyl-N-[(2S)-2-hydroxy-4-(hydroxyamino)-4-oxobutyl]benzamide?
4-benzoyl-N-[(2S)-2-hydroxy-4-(hydroxyamino)-4-oxobutyl]benzamide has a molecular weight of 342.35 g/mol, XLogP of 0.90, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-[(2S)-2-hydroxy-4-(hydroxyamino)-4-oxobutyl]benzamide is sourced from PubChem (CID 87793057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).