ethyl 2-[2-(benzylcarbamoyl)-2-methylhydrazinyl]acetate

C13H19N3O3 — CID 57428111

IUPACethyl 2-[2-(benzylcarbamoyl)-2-methylhydrazinyl]acetate
SMILESCCOC(=O)CNN(C)C(=O)NCc1ccccc1
InChIInChI=1S/C13H19N3O3/c1-3-19-12(17)10-15-16(2)13(18)14-9-11-7-5-4-6-8-11/h4-8,15H,3,9-10H2,1-2H3,(H,14,18)
InChIKeyKWFXOLFDOJJYOS-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.90
Rot. Bonds6

About ethyl 2-[2-(benzylcarbamoyl)-2-methylhydrazinyl]acetate

ethyl 2-[2-(benzylcarbamoyl)-2-methylhydrazinyl]acetate (PubChem CID 57428111) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 2-[2-(benzylcarbamoyl)-2-methylhydrazinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(benzylcarbamoyl)-2-methylhydrazinyl]acetate
PubChem CID57428111
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Nameethyl 2-[2-(benzylcarbamoyl)-2-methylhydrazinyl]acetate
SMILESCCOC(=O)CNN(C)C(=O)NCc1ccccc1
InChIInChI=1S/C13H19N3O3/c1-3-19-12(17)10-15-16(2)13(18)14-9-11-7-5-4-6-8-11/h4-8,15H,3,9-10H2,1-2H3,(H,14,18)
InChIKeyKWFXOLFDOJJYOS-UHFFFAOYSA-N
XLogP0.90
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-[2-(benzylcarbamoyl)-2-methylhydrazinyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(benzylcarbamoyl)-2-methylhydrazinyl]acetate?
The IUPAC name of ethyl 2-[2-(benzylcarbamoyl)-2-methylhydrazinyl]acetate (CID 57428111) is ethyl 2-[2-(benzylcarbamoyl)-2-methylhydrazinyl]acetate.
What is the SMILES notation for ethyl 2-[2-(benzylcarbamoyl)-2-methylhydrazinyl]acetate?
The canonical SMILES for ethyl 2-[2-(benzylcarbamoyl)-2-methylhydrazinyl]acetate is CCOC(=O)CNN(C)C(=O)NCc1ccccc1.
What is the InChIKey of ethyl 2-[2-(benzylcarbamoyl)-2-methylhydrazinyl]acetate?
The InChIKey is KWFXOLFDOJJYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-19-12(17)10-15-16(2)13(18)14-9-11-7-5-4-6-8-11/h4-8,15H,3,9-10H2,1-2H3,(H,14,18).
What are the key properties of ethyl 2-[2-(benzylcarbamoyl)-2-methylhydrazinyl]acetate?
ethyl 2-[2-(benzylcarbamoyl)-2-methylhydrazinyl]acetate has a molecular weight of 265.31 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(benzylcarbamoyl)-2-methylhydrazinyl]acetate is sourced from PubChem (CID 57428111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).