N-(3,4-dimethylphenyl)-4-oxo-4-[2-(phenylcarbamoyl)hydrazinyl]butanamide

C19H22N4O3 — CID 2377822

IUPACN-(3,4-dimethylphenyl)-4-oxo-4-[2-(phenylcarbamoyl)hydrazinyl]butanamide
SMILESCc1ccc(NC(=O)CCC(=O)NNC(=O)Nc2ccccc2)cc1C
InChIInChI=1S/C19H22N4O3/c1-13-8-9-16(12-14(13)2)20-17(24)10-11-18(25)22-23-19(26)21-15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3,(H,20,24)(H,22,25)(H2,21,23,26)
InChIKeyFLVGWAPMLOONQU-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.88
Rot. Bonds5

About N-(3,4-dimethylphenyl)-4-oxo-4-[2-(phenylcarbamoyl)hydrazinyl]butanamide

N-(3,4-dimethylphenyl)-4-oxo-4-[2-(phenylcarbamoyl)hydrazinyl]butanamide (PubChem CID 2377822) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-oxo-4-[2-(phenylcarbamoyl)hydrazinyl]butanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-oxo-4-[2-(phenylcarbamoyl)hydrazinyl]butanamide
PubChem CID2377822
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-(3,4-dimethylphenyl)-4-oxo-4-[2-(phenylcarbamoyl)hydrazinyl]butanamide
SMILESCc1ccc(NC(=O)CCC(=O)NNC(=O)Nc2ccccc2)cc1C
InChIInChI=1S/C19H22N4O3/c1-13-8-9-16(12-14(13)2)20-17(24)10-11-18(25)22-23-19(26)21-15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3,(H,20,24)(H,22,25)(H2,21,23,26)
InChIKeyFLVGWAPMLOONQU-UHFFFAOYSA-N
XLogP2.88
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3,4-dimethylphenyl)-4-oxo-4-[2-(phenylcarbamoyl)hydrazinyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-dimethylphenyl)-4-[2-[2-(2-methylphenyl)acetyl]hydrazinyl]-4-oxobutanamide
CID 26163627
3-[(4-bromophenyl)carbamoylamino]-N-(3,4-dimethylphenyl)propanamide
CID 55765106
N-(3,4-dimethylphenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
CID 19712476
4-[2-(3-bromobenzoyl)hydrazinyl]-N-(3,4-dimethylphenyl)-4-oxobutanamide
CID 54790886
4-[2-(cyclohexylcarbamoyl)hydrazinyl]-N-(3,4-dimethylphenyl)-4-oxobutanamide
CID 4981107
4-oxo-N-phenyl-4-(2-propanoylhydrazinyl)butanamide
CID 3140697
1-[[9-oxo-9-[2-(phenylcarbamoyl)hydrazinyl]nonanoyl]amino]-3-phenylurea
CID 3123939
2-bromo-N-[[[4-(3,4-dimethylanilino)-4-oxobutanoyl]amino]carbamothioyl]benzamide
CID 5087848
N-(3,4-dimethylphenyl)-3-(N-ethylanilino)propanamide
CID 109035427
1-(3,4-dimethylphenyl)-3-(3-methylphenyl)urea
CID 2985670
N-(3,4-dimethylphenyl)-3-(N-methylanilino)propanamide
CID 109034636
2-[[[4-(3,4-dimethylanilino)-4-oxobutanoyl]amino]carbamoyl]cyclohexane-1-carboxylic acid
CID 5130314

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-oxo-4-[2-(phenylcarbamoyl)hydrazinyl]butanamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-oxo-4-[2-(phenylcarbamoyl)hydrazinyl]butanamide (CID 2377822) is N-(3,4-dimethylphenyl)-4-oxo-4-[2-(phenylcarbamoyl)hydrazinyl]butanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-oxo-4-[2-(phenylcarbamoyl)hydrazinyl]butanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-oxo-4-[2-(phenylcarbamoyl)hydrazinyl]butanamide is Cc1ccc(NC(=O)CCC(=O)NNC(=O)Nc2ccccc2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-oxo-4-[2-(phenylcarbamoyl)hydrazinyl]butanamide?
The InChIKey is FLVGWAPMLOONQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-13-8-9-16(12-14(13)2)20-17(24)10-11-18(25)22-23-19(26)21-15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3,(H,20,24)(H,22,25)(H2,21,23,26).
What are the key properties of N-(3,4-dimethylphenyl)-4-oxo-4-[2-(phenylcarbamoyl)hydrazinyl]butanamide?
N-(3,4-dimethylphenyl)-4-oxo-4-[2-(phenylcarbamoyl)hydrazinyl]butanamide has a molecular weight of 354.41 g/mol, XLogP of 2.88, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-oxo-4-[2-(phenylcarbamoyl)hydrazinyl]butanamide is sourced from PubChem (CID 2377822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).