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

C17H17N3O4 — CID 2302679

IUPACN-benzyl-2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoacetamide
SMILESCOc1ccc(C(=O)NNC(=O)C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C17H17N3O4/c1-24-14-9-7-13(8-10-14)15(21)19-20-17(23)16(22)18-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,18,22)(H,19,21)(H,20,23)
InChIKeyBMNZGOHMYWTUMD-UHFFFAOYSA-N
MW327.34 g/mol
LogP0.77
Rot. Bonds4

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

N-benzyl-2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoacetamide (PubChem CID 2302679) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-benzyl-2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoacetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoacetamide
PubChem CID2302679
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC NameN-benzyl-2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoacetamide
SMILESCOc1ccc(C(=O)NNC(=O)C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C17H17N3O4/c1-24-14-9-7-13(8-10-14)15(21)19-20-17(23)16(22)18-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,18,22)(H,19,21)(H,20,23)
InChIKeyBMNZGOHMYWTUMD-UHFFFAOYSA-N
XLogP0.77
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 50.77
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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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoacetamide?
The IUPAC name of N-benzyl-2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoacetamide (CID 2302679) is N-benzyl-2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoacetamide.
What is the SMILES notation for N-benzyl-2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoacetamide?
The canonical SMILES for N-benzyl-2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoacetamide is COc1ccc(C(=O)NNC(=O)C(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoacetamide?
The InChIKey is BMNZGOHMYWTUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-24-14-9-7-13(8-10-14)15(21)19-20-17(23)16(22)18-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,18,22)(H,19,21)(H,20,23).
What are the key properties of N-benzyl-2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoacetamide?
N-benzyl-2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoacetamide has a molecular weight of 327.34 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoacetamide is sourced from PubChem (CID 2302679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).