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

C18H19N3O4 — CID 3117688

IUPACN-(4-ethylphenyl)-2-[2-(3-methoxybenzoyl)hydrazinyl]-2-oxoacetamide
SMILESCCc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(OC)c2)cc1
InChIInChI=1S/C18H19N3O4/c1-3-12-7-9-14(10-8-12)19-17(23)18(24)21-20-16(22)13-5-4-6-15(11-13)25-2/h4-11H,3H2,1-2H3,(H,19,23)(H,20,22)(H,21,24)
InChIKeyWJEWXOGIOJZALY-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.66
Rot. Bonds4

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

N-(4-ethylphenyl)-2-[2-(3-methoxybenzoyl)hydrazinyl]-2-oxoacetamide (PubChem CID 3117688) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[2-(3-methoxybenzoyl)hydrazinyl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[2-(3-methoxybenzoyl)hydrazinyl]-2-oxoacetamide
PubChem CID3117688
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN-(4-ethylphenyl)-2-[2-(3-methoxybenzoyl)hydrazinyl]-2-oxoacetamide
SMILESCCc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(OC)c2)cc1
InChIInChI=1S/C18H19N3O4/c1-3-12-7-9-14(10-8-12)19-17(23)18(24)21-20-16(22)13-5-4-6-15(11-13)25-2/h4-11H,3H2,1-2H3,(H,19,23)(H,20,22)(H,21,24)
InChIKeyWJEWXOGIOJZALY-UHFFFAOYSA-N
XLogP1.66
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.66
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-(4-ethylphenyl)-2-[2-(3-methoxybenzoyl)hydrazinyl]-2-oxoacetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[2-(3-methoxybenzoyl)hydrazinyl]-2-oxoacetamide (CID 3117688) is N-(4-ethylphenyl)-2-[2-(3-methoxybenzoyl)hydrazinyl]-2-oxoacetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[2-(3-methoxybenzoyl)hydrazinyl]-2-oxoacetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[2-(3-methoxybenzoyl)hydrazinyl]-2-oxoacetamide is CCc1ccc(NC(=O)C(=O)NNC(=O)c2cccc(OC)c2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[2-(3-methoxybenzoyl)hydrazinyl]-2-oxoacetamide?
The InChIKey is WJEWXOGIOJZALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-3-12-7-9-14(10-8-12)19-17(23)18(24)21-20-16(22)13-5-4-6-15(11-13)25-2/h4-11H,3H2,1-2H3,(H,19,23)(H,20,22)(H,21,24).
What are the key properties of N-(4-ethylphenyl)-2-[2-(3-methoxybenzoyl)hydrazinyl]-2-oxoacetamide?
N-(4-ethylphenyl)-2-[2-(3-methoxybenzoyl)hydrazinyl]-2-oxoacetamide has a molecular weight of 341.37 g/mol, XLogP of 1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[2-(3-methoxybenzoyl)hydrazinyl]-2-oxoacetamide is sourced from PubChem (CID 3117688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).