2-[2-(3-methoxybenzoyl)hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide

C17H17N3O4 — CID 3117686

IUPAC2-[2-(3-methoxybenzoyl)hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide
SMILESCOc1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C17H17N3O4/c1-11-6-8-13(9-7-11)18-16(22)17(23)20-19-15(21)12-4-3-5-14(10-12)24-2/h3-10H,1-2H3,(H,18,22)(H,19,21)(H,20,23)
InChIKeyUXIBSOMMMLPSOY-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.40
Rot. Bonds3

About 2-[2-(3-methoxybenzoyl)hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide

2-[2-(3-methoxybenzoyl)hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide (PubChem CID 3117686) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 2-[2-(3-methoxybenzoyl)hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[2-(3-methoxybenzoyl)hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide
PubChem CID3117686
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name2-[2-(3-methoxybenzoyl)hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide
SMILESCOc1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(C)cc2)c1
InChIInChI=1S/C17H17N3O4/c1-11-6-8-13(9-7-11)18-16(22)17(23)20-19-15(21)12-4-3-5-14(10-12)24-2/h3-10H,1-2H3,(H,18,22)(H,19,21)(H,20,23)
InChIKeyUXIBSOMMMLPSOY-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

N-(4-Methoxyphenyl)benzoic acid amide
CID 139031
N-(2-fluorophenyl)-3-methoxybenzamide
CID 532855
N-(4-benzoylphenyl)-3-methoxybenzamide
CID 837710
3-methoxy-N-(4-methylphenyl)benzamide
CID 827641
3-methoxy-N-phenylbenzamide
CID 835330
N-(3-chloro-4-methylphenyl)-1-[N'-(3-methoxybenzoyl)hydrazinecarbonyl]formamide
CID 3117694
3-(2-methoxyphenyl)-4-(phenylamino)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539453
3-(2-Methoxyphenyl)-4-[[4-(phenylcarbonyl)phenyl]amino]pyrrole-2,5-dione
CID 134822023
N-[4-(2-Hydrazinylethyl)phenyl]-4-(4-methoxyphenyl)butanamide sulfate salt (12h)
CID 77014314
3-Methoxy-N-[2-(4-p-tolyl-piperazin-1-yl)-ethyl]-benzamide
CID 11131951
3-methoxy-N-(3-phenylphenyl)benzamide
CID 798645
3-methoxy-N-{4-[(phenylacetyl)amino]phenyl}benzamide
CID 1306000

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxybenzoyl)hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide?
The IUPAC name of 2-[2-(3-methoxybenzoyl)hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide (CID 3117686) is 2-[2-(3-methoxybenzoyl)hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-[2-(3-methoxybenzoyl)hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide?
The canonical SMILES for 2-[2-(3-methoxybenzoyl)hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide is COc1cccc(C(=O)NNC(=O)C(=O)Nc2ccc(C)cc2)c1.
What is the InChIKey of 2-[2-(3-methoxybenzoyl)hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide?
The InChIKey is UXIBSOMMMLPSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-11-6-8-13(9-7-11)18-16(22)17(23)20-19-15(21)12-4-3-5-14(10-12)24-2/h3-10H,1-2H3,(H,18,22)(H,19,21)(H,20,23).
What are the key properties of 2-[2-(3-methoxybenzoyl)hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide?
2-[2-(3-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-(3-methoxybenzoyl)hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide is sourced from PubChem (CID 3117686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).