N-(3,4-dimethylphenyl)-4-[2-[2-(2-methylphenyl)acetyl]hydrazinyl]-4-oxobutanamide

C21H25N3O3 — CID 26163627

IUPACN-(3,4-dimethylphenyl)-4-[2-[2-(2-methylphenyl)acetyl]hydrazinyl]-4-oxobutanamide
SMILESCc1ccc(NC(=O)CCC(=O)NNC(=O)Cc2ccccc2C)cc1C
InChIInChI=1S/C21H25N3O3/c1-14-8-9-18(12-16(14)3)22-19(25)10-11-20(26)23-24-21(27)13-17-7-5-4-6-15(17)2/h4-9,12H,10-11,13H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyHRVPLHSEIBVEDW-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.72
Rot. Bonds6

About N-(3,4-dimethylphenyl)-4-[2-[2-(2-methylphenyl)acetyl]hydrazinyl]-4-oxobutanamide

N-(3,4-dimethylphenyl)-4-[2-[2-(2-methylphenyl)acetyl]hydrazinyl]-4-oxobutanamide (PubChem CID 26163627) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-[2-[2-(2-methylphenyl)acetyl]hydrazinyl]-4-oxobutanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-[2-[2-(2-methylphenyl)acetyl]hydrazinyl]-4-oxobutanamide
PubChem CID26163627
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-(3,4-dimethylphenyl)-4-[2-[2-(2-methylphenyl)acetyl]hydrazinyl]-4-oxobutanamide
SMILESCc1ccc(NC(=O)CCC(=O)NNC(=O)Cc2ccccc2C)cc1C
InChIInChI=1S/C21H25N3O3/c1-14-8-9-18(12-16(14)3)22-19(25)10-11-20(26)23-24-21(27)13-17-7-5-4-6-15(17)2/h4-9,12H,10-11,13H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyHRVPLHSEIBVEDW-UHFFFAOYSA-N
XLogP2.72
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.72
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-(3,4-dimethylphenyl)-4-oxo-4-[2-(phenylcarbamoyl)hydrazinyl]butanamide
CID 2377822
4-amino-N-(3,4-dimethylphenyl)-5-(2-methylphenyl)pentanamide
CID 54303561
N-(3,4-dimethylphenyl)-3-(2-methylanilino)propanamide
CID 109034069
N-(3,4-dimethylphenyl)-3-(2-ethylanilino)propanamide
CID 109035425
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3,4-dimethylphenyl)acetamide
CID 113161451
4-[2-(3-bromobenzoyl)hydrazinyl]-N-(3,4-dimethylphenyl)-4-oxobutanamide
CID 54790886
N-(3-bromo-4-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019343
N-(3,4-dimethylphenyl)-4-[2-[2-(3-methylphenoxy)propanoyl]hydrazinyl]-4-oxobutanamide
CID 4931367
2-[[[4-(3,4-dimethylanilino)-4-oxobutanoyl]amino]carbamoyl]cyclohexane-1-carboxylic acid
CID 5130314
N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 113000611
2-bromo-N-[[[4-(3,4-dimethylanilino)-4-oxobutanoyl]amino]carbamothioyl]benzamide
CID 5087848
1-N'-(3,4-dimethylphenyl)-1-N-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974965

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-[2-[2-(2-methylphenyl)acetyl]hydrazinyl]-4-oxobutanamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-[2-[2-(2-methylphenyl)acetyl]hydrazinyl]-4-oxobutanamide (CID 26163627) is N-(3,4-dimethylphenyl)-4-[2-[2-(2-methylphenyl)acetyl]hydrazinyl]-4-oxobutanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-[2-[2-(2-methylphenyl)acetyl]hydrazinyl]-4-oxobutanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-[2-[2-(2-methylphenyl)acetyl]hydrazinyl]-4-oxobutanamide is Cc1ccc(NC(=O)CCC(=O)NNC(=O)Cc2ccccc2C)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-[2-[2-(2-methylphenyl)acetyl]hydrazinyl]-4-oxobutanamide?
The InChIKey is HRVPLHSEIBVEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-14-8-9-18(12-16(14)3)22-19(25)10-11-20(26)23-24-21(27)13-17-7-5-4-6-15(17)2/h4-9,12H,10-11,13H2,1-3H3,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of N-(3,4-dimethylphenyl)-4-[2-[2-(2-methylphenyl)acetyl]hydrazinyl]-4-oxobutanamide?
N-(3,4-dimethylphenyl)-4-[2-[2-(2-methylphenyl)acetyl]hydrazinyl]-4-oxobutanamide has a molecular weight of 367.45 g/mol, XLogP of 2.72, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-[2-[2-(2-methylphenyl)acetyl]hydrazinyl]-4-oxobutanamide is sourced from PubChem (CID 26163627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).