N-[(2S)-1-(hydroxyamino)-1-oxo-5-phenylpent-4-en-2-yl]-N-[4-hydroxy-5-(hydroxymethyl)-2-oxo-1H-imidazol-3-yl]-4-methylpentanamide

C21H28N4O6 — CID 91009155

IUPACN-[(2S)-1-(hydroxyamino)-1-oxo-5-phenylpent-4-en-2-yl]-N-[4-hydroxy-5-(hydroxymethyl)-2-oxo-1H-imidazol-3-yl]-4-methylpentanamide
SMILESCC(C)CCC(=O)N([C@@H](CC=Cc1ccccc1)C(=O)NO)n1c(O)c(CO)[nH]c1=O
InChIInChI=1S/C21H28N4O6/c1-14(2)11-12-18(27)24(25-20(29)16(13-26)22-21(25)30)17(19(28)23-31)10-6-9-15-7-4-3-5-8-15/h3-9,14,17,26,29,31H,10-13H2,1-2H3,(H,22,30)(H,23,28)/t17-/m0/s1
InChIKeyKUOVCHJVKUBVBX-KRWDZBQOSA-N
MW432.48 g/mol
LogP1.25
Rot. Bonds10

About N-[(2S)-1-(hydroxyamino)-1-oxo-5-phenylpent-4-en-2-yl]-N-[4-hydroxy-5-(hydroxymethyl)-2-oxo-1H-imidazol-3-yl]-4-methylpentanamide

N-[(2S)-1-(hydroxyamino)-1-oxo-5-phenylpent-4-en-2-yl]-N-[4-hydroxy-5-(hydroxymethyl)-2-oxo-1H-imidazol-3-yl]-4-methylpentanamide (PubChem CID 91009155) has the molecular formula C21H28N4O6 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-[(2S)-1-(hydroxyamino)-1-oxo-5-phenylpent-4-en-2-yl]-N-[4-hydroxy-5-(hydroxymethyl)-2-oxo-1H-imidazol-3-yl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[(2S)-1-(hydroxyamino)-1-oxo-5-phenylpent-4-en-2-yl]-N-[4-hydroxy-5-(hydroxymethyl)-2-oxo-1H-imidazol-3-yl]-4-methylpentanamide
PubChem CID91009155
Molecular FormulaC21H28N4O6
Molecular Weight432.48 g/mol
Exact Mass432.20
IUPAC NameN-[(2S)-1-(hydroxyamino)-1-oxo-5-phenylpent-4-en-2-yl]-N-[4-hydroxy-5-(hydroxymethyl)-2-oxo-1H-imidazol-3-yl]-4-methylpentanamide
SMILESCC(C)CCC(=O)N([C@@H](CC=Cc1ccccc1)C(=O)NO)n1c(O)c(CO)[nH]c1=O
InChIInChI=1S/C21H28N4O6/c1-14(2)11-12-18(27)24(25-20(29)16(13-26)22-21(25)30)17(19(28)23-31)10-6-9-15-7-4-3-5-8-15/h3-9,14,17,26,29,31H,10-13H2,1-2H3,(H,22,30)(H,23,28)/t17-/m0/s1
InChIKeyKUOVCHJVKUBVBX-KRWDZBQOSA-N
XLogP1.25
TPSA147.89 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 51.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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

N-[5-[(2S)-butan-2-yl]-4-hydroxy-2-oxo-1H-imidazol-3-yl]-4-methyl-N-[(2S)-1-[[(2R)-oxan-2-yl]oxyamino]-1-oxo-5-phenylpent-4-en-2-yl]pentanamide
CID 90782178
(2S)-N-hydroxy-2-[4-methylpentanoyl-[2-methylpropyl-(1-methylpyrrole-2-carbonyl)amino]amino]-5-phenylpent-4-enamide
CID 90818904
(2S)-N-hydroxy-2-[4-methylpentanoyl-[2-methylpropyl(pyridine-2-carbonyl)amino]amino]-5-phenylpent-4-enamide
CID 90828885
(4R)-4-amino-5-[[[(2S)-1-(hydroxyamino)-1-oxo-5-phenylpent-4-en-2-yl]-(4-methylpentanoyl)amino]-(2-methylpropyl)amino]-5-oxopentanoic acid
CID 91046965
(2S)-N-hydroxy-2-[[[2-(1H-imidazol-5-yl)acetyl]-(2-methylpropyl)amino]-(4-methylpentanoyl)amino]-5-phenylpent-4-enamide
CID 91581531
(2S)-N-hydroxy-2-[4-methylpentanoyl-[2-methylpropyl-[(2S)-piperidine-2-carbonyl]amino]amino]-5-phenylpent-4-enamide
CID 91380940
(2R,3S)-N-(2,6-dioxo-1,3-diazinan-1-yl)-N'-hydroxy-2-(2-methylpropyl)-3-(3-phenylprop-2-enyl)butanediamide
CID 173203065
(2S)-2-[[[(2R)-2-aminopropanoyl]-(2-methylpropyl)amino]-(3-cyclobutylpropanoyl)amino]-N-hydroxy-5-phenylpent-4-enamide
CID 90733333
(2S,3R)-3-[[[(2R)-2-aminopropanoyl]-(2-methylpropyl)amino]carbamoyl]-N-hydroxy-5-methyl-2-(3-phenylprop-2-enyl)hexanamide
CID 173232947
(2S,3R)-3-[[(1-aminocyclopentanecarbonyl)-(2-methylpropyl)amino]carbamoyl]-N-hydroxy-5-methyl-2-(3-phenylprop-2-enyl)hexanamide
CID 173233112
(2S)-2-amino-4-[[[(2R,3S)-3-(hydroxycarbamoyl)-2-(2-methylpropyl)-6-phenylhex-5-enoyl]amino]-(2-methylpropyl)amino]-4-oxobutanoic acid;2,2,2-trifluoroacetic acid
CID 173232992
(2S,3R)-3-[[cyclopropylmethyl(methylsulfonyl)amino]carbamoyl]-N-hydroxy-5-methyl-2-(3-phenylprop-2-enyl)hexanamide
CID 173231639

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(hydroxyamino)-1-oxo-5-phenylpent-4-en-2-yl]-N-[4-hydroxy-5-(hydroxymethyl)-2-oxo-1H-imidazol-3-yl]-4-methylpentanamide?
The IUPAC name of N-[(2S)-1-(hydroxyamino)-1-oxo-5-phenylpent-4-en-2-yl]-N-[4-hydroxy-5-(hydroxymethyl)-2-oxo-1H-imidazol-3-yl]-4-methylpentanamide (CID 91009155) is N-[(2S)-1-(hydroxyamino)-1-oxo-5-phenylpent-4-en-2-yl]-N-[4-hydroxy-5-(hydroxymethyl)-2-oxo-1H-imidazol-3-yl]-4-methylpentanamide.
What is the SMILES notation for N-[(2S)-1-(hydroxyamino)-1-oxo-5-phenylpent-4-en-2-yl]-N-[4-hydroxy-5-(hydroxymethyl)-2-oxo-1H-imidazol-3-yl]-4-methylpentanamide?
The canonical SMILES for N-[(2S)-1-(hydroxyamino)-1-oxo-5-phenylpent-4-en-2-yl]-N-[4-hydroxy-5-(hydroxymethyl)-2-oxo-1H-imidazol-3-yl]-4-methylpentanamide is CC(C)CCC(=O)N([C@@H](CC=Cc1ccccc1)C(=O)NO)n1c(O)c(CO)[nH]c1=O.
What is the InChIKey of N-[(2S)-1-(hydroxyamino)-1-oxo-5-phenylpent-4-en-2-yl]-N-[4-hydroxy-5-(hydroxymethyl)-2-oxo-1H-imidazol-3-yl]-4-methylpentanamide?
The InChIKey is KUOVCHJVKUBVBX-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H28N4O6/c1-14(2)11-12-18(27)24(25-20(29)16(13-26)22-21(25)30)17(19(28)23-31)10-6-9-15-7-4-3-5-8-15/h3-9,14,17,26,29,31H,10-13H2,1-2H3,(H,22,30)(H,23,28)/t17-/m0/s1.
What are the key properties of N-[(2S)-1-(hydroxyamino)-1-oxo-5-phenylpent-4-en-2-yl]-N-[4-hydroxy-5-(hydroxymethyl)-2-oxo-1H-imidazol-3-yl]-4-methylpentanamide?
N-[(2S)-1-(hydroxyamino)-1-oxo-5-phenylpent-4-en-2-yl]-N-[4-hydroxy-5-(hydroxymethyl)-2-oxo-1H-imidazol-3-yl]-4-methylpentanamide has a molecular weight of 432.48 g/mol, XLogP of 1.25, 10 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(hydroxyamino)-1-oxo-5-phenylpent-4-en-2-yl]-N-[4-hydroxy-5-(hydroxymethyl)-2-oxo-1H-imidazol-3-yl]-4-methylpentanamide is sourced from PubChem (CID 91009155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).