2-[2-(4-methoxybenzoyl)hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide

C17H17N3O4 — CID 3117687

IUPAC2-[2-(4-methoxybenzoyl)hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide
SMILESCOc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C17H17N3O4/c1-11-3-7-13(8-4-11)18-16(22)17(23)20-19-15(21)12-5-9-14(24-2)10-6-12/h3-10H,1-2H3,(H,18,22)(H,19,21)(H,20,23)
InChIKeySVMIOCTWTAIYBM-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.40
Rot. Bonds3

About 2-[2-(4-methoxybenzoyl)hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide

2-[2-(4-methoxybenzoyl)hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide (PubChem CID 3117687) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 2-[2-(4-methoxybenzoyl)hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[2-(4-methoxybenzoyl)hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide
PubChem CID3117687
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name2-[2-(4-methoxybenzoyl)hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide
SMILESCOc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C17H17N3O4/c1-11-3-7-13(8-4-11)18-16(22)17(23)20-19-15(21)12-5-9-14(24-2)10-6-12/h3-10H,1-2H3,(H,18,22)(H,19,21)(H,20,23)
InChIKeySVMIOCTWTAIYBM-UHFFFAOYSA-N
XLogP1.40
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Methoxy-N-(4-methoxyphenyl)benzamide
CID 346815
VU0357121
CID 2296132
2-(4-methoxybenzoyl)-N-phenylhydrazinecarbothioamide
CID 2306768
N-(2-Aminophenyl)-4-methoxybenzamide
CID 785232
4-Methoxy-N-(3-methylphenyl)benzamide
CID 346046
4-methoxy-N-[4-(4-methyl-1-piperazinyl)phenyl]benzamide
CID 3154679
Benzoic acid, 4-methoxy-, 2-phenylhydrazide
CID 27022
4-methoxy-N-(3-methoxyphenyl)benzamide
CID 687087
N-(4-Ethoxyphenyl)-4-methoxybenzamide
CID 584690
1H-Pyrrole-2,5-dione, 3-(4-methoxyphenyl)-4-(phenylamino)-
CID 6539456
N-(3-acetylphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide
CID 22431219
4-methoxy-N-[2-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 1034712

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxybenzoyl)hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide?
The IUPAC name of 2-[2-(4-methoxybenzoyl)hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide (CID 3117687) is 2-[2-(4-methoxybenzoyl)hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-[2-(4-methoxybenzoyl)hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide?
The canonical SMILES for 2-[2-(4-methoxybenzoyl)hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide is COc1ccc(C(=O)NNC(=O)C(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of 2-[2-(4-methoxybenzoyl)hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide?
The InChIKey is SVMIOCTWTAIYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-11-3-7-13(8-4-11)18-16(22)17(23)20-19-15(21)12-5-9-14(24-2)10-6-12/h3-10H,1-2H3,(H,18,22)(H,19,21)(H,20,23).
What are the key properties of 2-[2-(4-methoxybenzoyl)hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide?
2-[2-(4-methoxybenzoyl)hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide has a molecular weight of 327.34 g/mol, XLogP of 1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxybenzoyl)hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide is sourced from PubChem (CID 3117687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).