4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)benzamide

C11H15N3O3 — CID 17349908

IUPAC4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NN)cc1
InChIInChI=1S/C11H15N3O3/c1-2-17-9-5-3-8(4-6-9)11(16)13-7-10(15)14-12/h3-6H,2,7,12H2,1H3,(H,13,16)(H,14,15)
InChIKeyZRTDNTBQZHIRSS-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.19
Rot. Bonds5

About 4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)benzamide

4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)benzamide (PubChem CID 17349908) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)benzamide.

Molecular Properties

Compound Name4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)benzamide
PubChem CID17349908
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NN)cc1
InChIInChI=1S/C11H15N3O3/c1-2-17-9-5-3-8(4-6-9)11(16)13-7-10(15)14-12/h3-6H,2,7,12H2,1H3,(H,13,16)(H,14,15)
InChIKeyZRTDNTBQZHIRSS-UHFFFAOYSA-N
XLogP-0.19
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(butylamino)-2-oxoethyl]-4-ethoxybenzamide
CID 34231237
2-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]propanoic acid
CID 120523615
4-ethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 51166561
N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzamide
CID 17349905
N-[2-(4-ethoxyanilino)-2-oxoethyl]-4-fluorobenzamide
CID 2967136
4-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide
CID 9416291
4-ethoxy-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9366137
4-chloro-N-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9022553
[2-(4-ethoxyanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884932
N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-ethoxybenzamide
CID 7676792
4-ethoxy-N-[2-(heptan-2-ylamino)-2-oxoethyl]benzamide
CID 46603352
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-ethoxybenzamide
CID 27660429

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)benzamide?
The IUPAC name of 4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)benzamide (CID 17349908) is 4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)benzamide.
What is the SMILES notation for 4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)benzamide?
The canonical SMILES for 4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)benzamide is CCOc1ccc(C(=O)NCC(=O)NN)cc1.
What is the InChIKey of 4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)benzamide?
The InChIKey is ZRTDNTBQZHIRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-2-17-9-5-3-8(4-6-9)11(16)13-7-10(15)14-12/h3-6H,2,7,12H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)benzamide?
4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)benzamide has a molecular weight of 237.26 g/mol, XLogP of -0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)benzamide is sourced from PubChem (CID 17349908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).