N-[3-methyl-1-oxo-1-[(2Z)-2-(1-phenylethylidene)hydrazinyl]butan-2-yl]benzamide

C20H23N3O2 — CID 20846178

IUPACN-[3-methyl-1-oxo-1-[(2Z)-2-(1-phenylethylidene)hydrazinyl]butan-2-yl]benzamide
SMILESC/C(=N/NC(=O)C(NC(=O)c1ccccc1)C(C)C)c1ccccc1
InChIInChI=1S/C20H23N3O2/c1-14(2)18(21-19(24)17-12-8-5-9-13-17)20(25)23-22-15(3)16-10-6-4-7-11-16/h4-14,18H,1-3H3,(H,21,24)(H,23,25)/b22-15-
InChIKeyQNTPGGVVWCGXNL-JCMHNJIXSA-N
MW337.42 g/mol
LogP2.98
Rot. Bonds6

About N-[3-methyl-1-oxo-1-[(2Z)-2-(1-phenylethylidene)hydrazinyl]butan-2-yl]benzamide

N-[3-methyl-1-oxo-1-[(2Z)-2-(1-phenylethylidene)hydrazinyl]butan-2-yl]benzamide (PubChem CID 20846178) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[3-methyl-1-oxo-1-[(2Z)-2-(1-phenylethylidene)hydrazinyl]butan-2-yl]benzamide.

Molecular Properties

Compound NameN-[3-methyl-1-oxo-1-[(2Z)-2-(1-phenylethylidene)hydrazinyl]butan-2-yl]benzamide
PubChem CID20846178
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[3-methyl-1-oxo-1-[(2Z)-2-(1-phenylethylidene)hydrazinyl]butan-2-yl]benzamide
SMILESC/C(=N/NC(=O)C(NC(=O)c1ccccc1)C(C)C)c1ccccc1
InChIInChI=1S/C20H23N3O2/c1-14(2)18(21-19(24)17-12-8-5-9-13-17)20(25)23-22-15(3)16-10-6-4-7-11-16/h4-14,18H,1-3H3,(H,21,24)(H,23,25)/b22-15-
InChIKeyQNTPGGVVWCGXNL-JCMHNJIXSA-N
XLogP2.98
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-1-(2-benzylidenehydrazinyl)-3-methyl-1-oxobutan-2-yl]benzamide
CID 129360194
N-[(2R)-1-(2-cyclohexylidenehydrazinyl)-3-methyl-1-oxobutan-2-yl]benzamide
CID 828144
N-[(2R)-1-(benzhydrylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 9110395
N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]butan-2-yl]benzamide
CID 54311703
methyl (2S)-2-[[(2R)-2-benzamido-3-methylbutanoyl]amino]-3-methylbutanoate
CID 2208900
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-[(Z)-1-phenylethylideneamino]-4-propan-2-yloxybenzamide
CID 9215513
4-chloro-N-[1-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 3367370
N-[(2R)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]benzamide
CID 970702
N-[1-(1-hydroxypentan-3-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 109479000
N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]benzamide
CID 970701

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-oxo-1-[(2Z)-2-(1-phenylethylidene)hydrazinyl]butan-2-yl]benzamide?
The IUPAC name of N-[3-methyl-1-oxo-1-[(2Z)-2-(1-phenylethylidene)hydrazinyl]butan-2-yl]benzamide (CID 20846178) is N-[3-methyl-1-oxo-1-[(2Z)-2-(1-phenylethylidene)hydrazinyl]butan-2-yl]benzamide.
What is the SMILES notation for N-[3-methyl-1-oxo-1-[(2Z)-2-(1-phenylethylidene)hydrazinyl]butan-2-yl]benzamide?
The canonical SMILES for N-[3-methyl-1-oxo-1-[(2Z)-2-(1-phenylethylidene)hydrazinyl]butan-2-yl]benzamide is C/C(=N/NC(=O)C(NC(=O)c1ccccc1)C(C)C)c1ccccc1.
What is the InChIKey of N-[3-methyl-1-oxo-1-[(2Z)-2-(1-phenylethylidene)hydrazinyl]butan-2-yl]benzamide?
The InChIKey is QNTPGGVVWCGXNL-JCMHNJIXSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14(2)18(21-19(24)17-12-8-5-9-13-17)20(25)23-22-15(3)16-10-6-4-7-11-16/h4-14,18H,1-3H3,(H,21,24)(H,23,25)/b22-15-.
What are the key properties of N-[3-methyl-1-oxo-1-[(2Z)-2-(1-phenylethylidene)hydrazinyl]butan-2-yl]benzamide?
N-[3-methyl-1-oxo-1-[(2Z)-2-(1-phenylethylidene)hydrazinyl]butan-2-yl]benzamide has a molecular weight of 337.42 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-oxo-1-[(2Z)-2-(1-phenylethylidene)hydrazinyl]butan-2-yl]benzamide is sourced from PubChem (CID 20846178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).