N-[(2S)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-(2-phenylethenyl)benzamide

C20H22N2O3 — CID 59626772

IUPACN-[(2S)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-(2-phenylethenyl)benzamide
SMILESCC(C)[C@H](NC(=O)c1ccc(C=Cc2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C20H22N2O3/c1-14(2)18(20(24)22-25)21-19(23)17-12-10-16(11-13-17)9-8-15-6-4-3-5-7-15/h3-14,18,25H,1-2H3,(H,21,23)(H,22,24)/t18-/m0/s1
InChIKeyMQBXXFPHQDNJNU-SFHVURJKSA-N
MW338.41 g/mol
LogP3.12
Rot. Bonds6

About N-[(2S)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-(2-phenylethenyl)benzamide

N-[(2S)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-(2-phenylethenyl)benzamide (PubChem CID 59626772) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[(2S)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-(2-phenylethenyl)benzamide.

Molecular Properties

Compound NameN-[(2S)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-(2-phenylethenyl)benzamide
PubChem CID59626772
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[(2S)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-(2-phenylethenyl)benzamide
SMILESCC(C)[C@H](NC(=O)c1ccc(C=Cc2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C20H22N2O3/c1-14(2)18(20(24)22-25)21-19(23)17-12-10-16(11-13-17)9-8-15-6-4-3-5-7-15/h3-14,18,25H,1-2H3,(H,21,23)(H,22,24)/t18-/m0/s1
InChIKeyMQBXXFPHQDNJNU-SFHVURJKSA-N
XLogP3.12
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[(E)-2-[4-(hydroxymethyl)phenyl]ethenyl]benzamide
CID 89219792
N-[(2S)-1-(2-benzylidenehydrazinyl)-3-methyl-1-oxobutan-2-yl]benzamide
CID 129360194
N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]butan-2-yl]benzamide
CID 54311703
N-[1-[2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 4532278
N-[(2R)-1-[2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 129439224
N-[4,4-difluoro-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-phenylbenzamide
CID 145391421
N-[(2R)-1-(benzhydrylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 9110395
methyl (2S)-2-[[(2R)-2-benzamido-3-methylbutanoyl]amino]-3-methylbutanoate
CID 2208900
4-[(E)-4-(2-fluorophenyl)but-1-en-3-ynyl]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide
CID 59417583
4-[(1E,3E)-4-(furan-3-yl)buta-1,3-dienyl]-N-[(3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide
CID 139401652
N-[3-methyl-1-oxo-1-[(2Z)-2-(1-phenylethylidene)hydrazinyl]butan-2-yl]benzamide
CID 20846178
N-[3-methyl-1-[2-(4-methylsulfonylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 55675733

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-(2-phenylethenyl)benzamide?
The IUPAC name of N-[(2S)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-(2-phenylethenyl)benzamide (CID 59626772) is N-[(2S)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-(2-phenylethenyl)benzamide.
What is the SMILES notation for N-[(2S)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-(2-phenylethenyl)benzamide?
The canonical SMILES for N-[(2S)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-(2-phenylethenyl)benzamide is CC(C)[C@H](NC(=O)c1ccc(C=Cc2ccccc2)cc1)C(=O)NO.
What is the InChIKey of N-[(2S)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-(2-phenylethenyl)benzamide?
The InChIKey is MQBXXFPHQDNJNU-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14(2)18(20(24)22-25)21-19(23)17-12-10-16(11-13-17)9-8-15-6-4-3-5-7-15/h3-14,18,25H,1-2H3,(H,21,23)(H,22,24)/t18-/m0/s1.
What are the key properties of N-[(2S)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-(2-phenylethenyl)benzamide?
N-[(2S)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-(2-phenylethenyl)benzamide has a molecular weight of 338.41 g/mol, XLogP of 3.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-(2-phenylethenyl)benzamide is sourced from PubChem (CID 59626772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).