N-[(3R,4R)-4-hydroxy-1-(hydroxyamino)-1-oxopentan-3-yl]-4-phenylbenzamide

C18H20N2O4 — CID 87199529

IUPACN-[(3R,4R)-4-hydroxy-1-(hydroxyamino)-1-oxopentan-3-yl]-4-phenylbenzamide
SMILESC[C@@H](O)[C@@H](CC(=O)NO)NC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H20N2O4/c1-12(21)16(11-17(22)20-24)19-18(23)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,12,16,21,24H,11H2,1H3,(H,19,23)(H,20,22)/t12-,16-/m1/s1
InChIKeyFVGWGACQWNCWSG-MLGOLLRUSA-N
MW328.37 g/mol
LogP1.73
Rot. Bonds6

About N-[(3R,4R)-4-hydroxy-1-(hydroxyamino)-1-oxopentan-3-yl]-4-phenylbenzamide

N-[(3R,4R)-4-hydroxy-1-(hydroxyamino)-1-oxopentan-3-yl]-4-phenylbenzamide (PubChem CID 87199529) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxy-1-(hydroxyamino)-1-oxopentan-3-yl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxy-1-(hydroxyamino)-1-oxopentan-3-yl]-4-phenylbenzamide
PubChem CID87199529
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-[(3R,4R)-4-hydroxy-1-(hydroxyamino)-1-oxopentan-3-yl]-4-phenylbenzamide
SMILESC[C@@H](O)[C@@H](CC(=O)NO)NC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H20N2O4/c1-12(21)16(11-17(22)20-24)19-18(23)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,12,16,21,24H,11H2,1H3,(H,19,23)(H,20,22)/t12-,16-/m1/s1
InChIKeyFVGWGACQWNCWSG-MLGOLLRUSA-N
XLogP1.73
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.73
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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Related Compounds

4-phenyl-N-[2-[(4-phenylbenzoyl)amino]propyl]benzamide
CID 3732499
4-methyl-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 17380410
N-[(4S,5S,6R)-5,6-dihydroxyhept-1-en-4-yl]benzamide
CID 12775367
N-(2-hydroxypropyl)-4-phenylbenzamide
CID 43391038
N-(1,3-dihydroxybutan-2-yl)-N'-hydroxy-2-[3-(4-phenylphenyl)propyl]butanediamide
CID 139919251
N-[(1S)-2-methyl-1-phenylpropyl]-4-phenylbenzamide
CID 6594177
4-bromo-N-[1-(4-phenylphenyl)ethyl]benzamide
CID 4267711
N-[4,4-difluoro-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-phenylbenzamide
CID 145391421
N-(2-methylpropyl)-4-(4-phenylphenyl)benzamide
CID 145125410
3-methyl-5-oxo-5-[4-(4-phenylphenyl)phenyl]pentanoic acid
CID 23276830
(2R)-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 126627406
[(1R)-2-methyl-1-[(4-phenylbenzoyl)amino]propyl]phosphonic acid
CID 59956200

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxy-1-(hydroxyamino)-1-oxopentan-3-yl]-4-phenylbenzamide?
The IUPAC name of N-[(3R,4R)-4-hydroxy-1-(hydroxyamino)-1-oxopentan-3-yl]-4-phenylbenzamide (CID 87199529) is N-[(3R,4R)-4-hydroxy-1-(hydroxyamino)-1-oxopentan-3-yl]-4-phenylbenzamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxy-1-(hydroxyamino)-1-oxopentan-3-yl]-4-phenylbenzamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxy-1-(hydroxyamino)-1-oxopentan-3-yl]-4-phenylbenzamide is C[C@@H](O)[C@@H](CC(=O)NO)NC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(3R,4R)-4-hydroxy-1-(hydroxyamino)-1-oxopentan-3-yl]-4-phenylbenzamide?
The InChIKey is FVGWGACQWNCWSG-MLGOLLRUSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-12(21)16(11-17(22)20-24)19-18(23)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,12,16,21,24H,11H2,1H3,(H,19,23)(H,20,22)/t12-,16-/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxy-1-(hydroxyamino)-1-oxopentan-3-yl]-4-phenylbenzamide?
N-[(3R,4R)-4-hydroxy-1-(hydroxyamino)-1-oxopentan-3-yl]-4-phenylbenzamide has a molecular weight of 328.37 g/mol, XLogP of 1.73, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxy-1-(hydroxyamino)-1-oxopentan-3-yl]-4-phenylbenzamide is sourced from PubChem (CID 87199529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).