N-[(2R)-4-(hydroxyamino)-4-oxo-1-phenylbutan-2-yl]-1H-imidazole-5-carboxamide

C14H16N4O3 — CID 141237377

IUPACN-[(2R)-4-(hydroxyamino)-4-oxo-1-phenylbutan-2-yl]-1H-imidazole-5-carboxamide
SMILESO=C(C[C@@H](Cc1ccccc1)NC(=O)c1cnc[nH]1)NO
InChIInChI=1S/C14H16N4O3/c19-13(18-21)7-11(6-10-4-2-1-3-5-10)17-14(20)12-8-15-9-16-12/h1-5,8-9,11,21H,6-7H2,(H,15,16)(H,17,20)(H,18,19)/t11-/m1/s1
InChIKeyRPAQUEWIJDJJFR-LLVKDONJSA-N
MW288.31 g/mol
LogP0.65
Rot. Bonds6

About N-[(2R)-4-(hydroxyamino)-4-oxo-1-phenylbutan-2-yl]-1H-imidazole-5-carboxamide

N-[(2R)-4-(hydroxyamino)-4-oxo-1-phenylbutan-2-yl]-1H-imidazole-5-carboxamide (PubChem CID 141237377) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-[(2R)-4-(hydroxyamino)-4-oxo-1-phenylbutan-2-yl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-4-(hydroxyamino)-4-oxo-1-phenylbutan-2-yl]-1H-imidazole-5-carboxamide
PubChem CID141237377
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC NameN-[(2R)-4-(hydroxyamino)-4-oxo-1-phenylbutan-2-yl]-1H-imidazole-5-carboxamide
SMILESO=C(C[C@@H](Cc1ccccc1)NC(=O)c1cnc[nH]1)NO
InChIInChI=1S/C14H16N4O3/c19-13(18-21)7-11(6-10-4-2-1-3-5-10)17-14(20)12-8-15-9-16-12/h1-5,8-9,11,21H,6-7H2,(H,15,16)(H,17,20)(H,18,19)/t11-/m1/s1
InChIKeyRPAQUEWIJDJJFR-LLVKDONJSA-N
XLogP0.65
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.65
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

N-[(1S)-1-phenylethyl]-1H-imidazole-5-carboxamide
CID 141124436
N-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxamide
CID 141124408
N-[(2S)-1-(1H-imidazol-5-yl)-3-phenylpropan-2-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 97066340
methyl 2-(1H-imidazole-5-carbonylamino)-2-phenylacetate
CID 64539915
(2S)-2-[[(2S)-1-amino-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 68835809
(2S)-2-(1H-imidazol-5-ylmethylamino)-3-phenylpropan-1-ol
CID 102610097
N,N-dibenzyl-1H-imidazole-5-carboxamide
CID 141124431
N-[(2S)-1-(1H-imidazol-5-yl)-3-phenylpropan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 97081922
2-(1H-imidazol-5-ylmethyl)-N,N'-bis(2-phenylethyl)butanediamide
CID 70183155
N-[(2R)-1-aminopropan-2-yl]-1H-imidazole-5-carboxamide
CID 104877130
3-amino-4-[[1-[[2-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
CID 18251838
(2S)-2-[[(2S)-2-azaniumyl-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoate
CID 7021872

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-(hydroxyamino)-4-oxo-1-phenylbutan-2-yl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[(2R)-4-(hydroxyamino)-4-oxo-1-phenylbutan-2-yl]-1H-imidazole-5-carboxamide (CID 141237377) is N-[(2R)-4-(hydroxyamino)-4-oxo-1-phenylbutan-2-yl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[(2R)-4-(hydroxyamino)-4-oxo-1-phenylbutan-2-yl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[(2R)-4-(hydroxyamino)-4-oxo-1-phenylbutan-2-yl]-1H-imidazole-5-carboxamide is O=C(C[C@@H](Cc1ccccc1)NC(=O)c1cnc[nH]1)NO.
What is the InChIKey of N-[(2R)-4-(hydroxyamino)-4-oxo-1-phenylbutan-2-yl]-1H-imidazole-5-carboxamide?
The InChIKey is RPAQUEWIJDJJFR-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16N4O3/c19-13(18-21)7-11(6-10-4-2-1-3-5-10)17-14(20)12-8-15-9-16-12/h1-5,8-9,11,21H,6-7H2,(H,15,16)(H,17,20)(H,18,19)/t11-/m1/s1.
What are the key properties of N-[(2R)-4-(hydroxyamino)-4-oxo-1-phenylbutan-2-yl]-1H-imidazole-5-carboxamide?
N-[(2R)-4-(hydroxyamino)-4-oxo-1-phenylbutan-2-yl]-1H-imidazole-5-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 0.65, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-(hydroxyamino)-4-oxo-1-phenylbutan-2-yl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 141237377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).