3-amino-N-hydroxy-2-methylpropanamide;ethane;1-[4-[2-(2-fluorophenyl)ethynyl]phenyl]ethanone

C24H33FN2O3 — CID 142923852

IUPAC3-amino-N-hydroxy-2-methylpropanamide;ethane;1-[4-[2-(2-fluorophenyl)ethynyl]phenyl]ethanone
SMILESCC.CC.CC(=O)c1ccc(C#Cc2ccccc2F)cc1.CC(CN)C(=O)NO
InChIInChI=1S/C16H11FO.C4H10N2O2.2C2H6/c1-12(18)14-9-6-13(7-10-14)8-11-15-4-2-3-5-16(15)17;1-3(2-5)4(7)6-8;2*1-2/h2-7,9-10H,1H3;3,8H,2,5H2,1H3,(H,6,7);2*1-2H3
InChIKeyVOCDXRKCVFFNJD-UHFFFAOYSA-N
MW416.54 g/mol
LogP4.57
Rot. Bonds3

About 3-amino-N-hydroxy-2-methylpropanamide;ethane;1-[4-[2-(2-fluorophenyl)ethynyl]phenyl]ethanone

3-amino-N-hydroxy-2-methylpropanamide;ethane;1-[4-[2-(2-fluorophenyl)ethynyl]phenyl]ethanone (PubChem CID 142923852) has the molecular formula C24H33FN2O3 and a molecular weight of 416.54 g/mol. Its IUPAC name is 3-amino-N-hydroxy-2-methylpropanamide;ethane;1-[4-[2-(2-fluorophenyl)ethynyl]phenyl]ethanone.

Molecular Properties

Compound Name3-amino-N-hydroxy-2-methylpropanamide;ethane;1-[4-[2-(2-fluorophenyl)ethynyl]phenyl]ethanone
PubChem CID142923852
Molecular FormulaC24H33FN2O3
Molecular Weight416.54 g/mol
Exact Mass416.25
IUPAC Name3-amino-N-hydroxy-2-methylpropanamide;ethane;1-[4-[2-(2-fluorophenyl)ethynyl]phenyl]ethanone
SMILESCC.CC.CC(=O)c1ccc(C#Cc2ccccc2F)cc1.CC(CN)C(=O)NO
InChIInChI=1S/C16H11FO.C4H10N2O2.2C2H6/c1-12(18)14-9-6-13(7-10-14)8-11-15-4-2-3-5-16(15)17;1-3(2-5)4(7)6-8;2*1-2/h2-7,9-10H,1H3;3,8H,2,5H2,1H3,(H,6,7);2*1-2H3
InChIKeyVOCDXRKCVFFNJD-UHFFFAOYSA-N
XLogP4.57
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 54.57
H-Bond Donors ≤ 53
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-N-hydroxy-2-phenylacetamide
CID 135320467
N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-[2-[4-(3-aminopropanoylamino)phenyl]ethynyl]-3-fluorobenzamide
CID 58670416
4-[2-(2-fluorophenyl)ethynyl]-N-[[4-(2-methylpropyl)oxan-4-yl]methyl]benzamide
CID 167647348
4-[2-(2-fluorophenyl)ethynyl]benzoic acid;4-[2-(2-fluorophenyl)ethynyl]-N-[[4-(2-methylpropyl)oxan-4-yl]methyl]benzamide;[4-(2-methylpropyl)oxan-4-yl]methanamine
CID 167707210
4-[2-(2-fluorophenyl)ethynyl]-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 162688811
1-[2-(4-acetylphenyl)ethynyl]anthracene-9,10-dione
CID 122226295
N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-[2-(4-methylphenyl)ethynyl]benzamide;methane
CID 159738618
N-[3-(4-acetylphenyl)prop-2-ynyl]-2-phenoxypropanamide
CID 90549528
(5,5-dimethyloxolan-3-yl)methanamine;N-[(5,5-dimethyloxolan-3-yl)methyl]-4-[2-(2-fluorophenyl)ethynyl]benzamide;4-[2-(2-fluorophenyl)ethynyl]benzoic acid
CID 167675114
4-[2-(2-acetylphenyl)ethynyl]benzoic acid
CID 70289868
1-[4-[2-(4-aminophenyl)ethynyl]phenyl]ethanone
CID 11470363
1-[4-[2-(4-bromophenyl)ethynyl]phenyl]ethanone
CID 86068214

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-hydroxy-2-methylpropanamide;ethane;1-[4-[2-(2-fluorophenyl)ethynyl]phenyl]ethanone?
The IUPAC name of 3-amino-N-hydroxy-2-methylpropanamide;ethane;1-[4-[2-(2-fluorophenyl)ethynyl]phenyl]ethanone (CID 142923852) is 3-amino-N-hydroxy-2-methylpropanamide;ethane;1-[4-[2-(2-fluorophenyl)ethynyl]phenyl]ethanone.
What is the SMILES notation for 3-amino-N-hydroxy-2-methylpropanamide;ethane;1-[4-[2-(2-fluorophenyl)ethynyl]phenyl]ethanone?
The canonical SMILES for 3-amino-N-hydroxy-2-methylpropanamide;ethane;1-[4-[2-(2-fluorophenyl)ethynyl]phenyl]ethanone is CC.CC.CC(=O)c1ccc(C#Cc2ccccc2F)cc1.CC(CN)C(=O)NO.
What is the InChIKey of 3-amino-N-hydroxy-2-methylpropanamide;ethane;1-[4-[2-(2-fluorophenyl)ethynyl]phenyl]ethanone?
The InChIKey is VOCDXRKCVFFNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FO.C4H10N2O2.2C2H6/c1-12(18)14-9-6-13(7-10-14)8-11-15-4-2-3-5-16(15)17;1-3(2-5)4(7)6-8;2*1-2/h2-7,9-10H,1H3;3,8H,2,5H2,1H3,(H,6,7);2*1-2H3.
What are the key properties of 3-amino-N-hydroxy-2-methylpropanamide;ethane;1-[4-[2-(2-fluorophenyl)ethynyl]phenyl]ethanone?
3-amino-N-hydroxy-2-methylpropanamide;ethane;1-[4-[2-(2-fluorophenyl)ethynyl]phenyl]ethanone has a molecular weight of 416.54 g/mol, XLogP of 4.57, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-hydroxy-2-methylpropanamide;ethane;1-[4-[2-(2-fluorophenyl)ethynyl]phenyl]ethanone is sourced from PubChem (CID 142923852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).