3-methyl-N-[3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide

C21H25N3O3 — CID 3919452

IUPAC3-methyl-N-[3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide
SMILESCc1ccc(C(=O)NNC(=O)C(NC(=O)c2cccc(C)c2)C(C)C)cc1
InChIInChI=1S/C21H25N3O3/c1-13(2)18(22-19(25)17-7-5-6-15(4)12-17)21(27)24-23-20(26)16-10-8-14(3)9-11-16/h5-13,18H,1-4H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyLYWVUPQRQCDFBV-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.52
Rot. Bonds5

About 3-methyl-N-[3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide

3-methyl-N-[3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide (PubChem CID 3919452) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-methyl-N-[3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide
PubChem CID3919452
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name3-methyl-N-[3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide
SMILESCc1ccc(C(=O)NNC(=O)C(NC(=O)c2cccc(C)c2)C(C)C)cc1
InChIInChI=1S/C21H25N3O3/c1-13(2)18(22-19(25)17-7-5-6-15(4)12-17)21(27)24-23-20(26)16-10-8-14(3)9-11-16/h5-13,18H,1-4H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyLYWVUPQRQCDFBV-UHFFFAOYSA-N
XLogP2.52
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-[2-(4-ethylbenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 55942890
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3-methyl-N-[3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide
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3-methyl-N-[3-methyl-1-[2-[4-(4-methylphenyl)sulfonylphenyl]hydrazinyl]-1-oxobutan-2-yl]benzamide
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3-methyl-N-[(2R)-3-methyl-1-[2-[4-(4-methylphenyl)sulfonylphenyl]hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 30825059
N-[1-(1-hydroxypropan-2-ylamino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 78856876
N-[(2S)-3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]furan-2-carboxamide
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N-[1-[2-[2-(3-bromophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 55347885
3-methyl-N-[3-methyl-1-[2-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide
CID 120828073
N-[1-(3-acetamido-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 134019283
N-[1-(4-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 55335504
3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94665537

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide?
The IUPAC name of 3-methyl-N-[3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide (CID 3919452) is 3-methyl-N-[3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 3-methyl-N-[3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide is Cc1ccc(C(=O)NNC(=O)C(NC(=O)c2cccc(C)c2)C(C)C)cc1.
What is the InChIKey of 3-methyl-N-[3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide?
The InChIKey is LYWVUPQRQCDFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-13(2)18(22-19(25)17-7-5-6-15(4)12-17)21(27)24-23-20(26)16-10-8-14(3)9-11-16/h5-13,18H,1-4H3,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of 3-methyl-N-[3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide?
3-methyl-N-[3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide has a molecular weight of 367.45 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 3919452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).