ethyl (2Z)-2-amino-2-[(2-benzylphenyl)hydrazinylidene]acetate

C17H19N3O2 — CID 12857760

IUPACethyl (2Z)-2-amino-2-[(2-benzylphenyl)hydrazinylidene]acetate
SMILESCCOC(=O)/C(N)=N/Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C17H19N3O2/c1-2-22-17(21)16(18)20-19-15-11-7-6-10-14(15)12-13-8-4-3-5-9-13/h3-11,19H,2,12H2,1H3,(H2,18,20)
InChIKeyBBMDKUKSTXEWKG-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.52
Rot. Bonds5

About ethyl (2Z)-2-amino-2-[(2-benzylphenyl)hydrazinylidene]acetate

ethyl (2Z)-2-amino-2-[(2-benzylphenyl)hydrazinylidene]acetate (PubChem CID 12857760) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is ethyl (2Z)-2-amino-2-[(2-benzylphenyl)hydrazinylidene]acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-amino-2-[(2-benzylphenyl)hydrazinylidene]acetate
PubChem CID12857760
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Nameethyl (2Z)-2-amino-2-[(2-benzylphenyl)hydrazinylidene]acetate
SMILESCCOC(=O)/C(N)=N/Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C17H19N3O2/c1-2-22-17(21)16(18)20-19-15-11-7-6-10-14(15)12-13-8-4-3-5-9-13/h3-11,19H,2,12H2,1H3,(H2,18,20)
InChIKeyBBMDKUKSTXEWKG-UHFFFAOYSA-N
XLogP2.52
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl (2Z)-2-amino-2-[(2-benzylphenyl)hydrazinylidene]acetate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl (2E)-3-phenyl-2-(phenylhydrazinylidene)propanoate
CID 11616153
ethyl (2Z)-2-amino-2-[[4-chloro-2-(2-fluorobenzoyl)phenyl]hydrazinylidene]acetate
CID 13078230
ethyl 2-amino-2-[(3-bromophenyl)methylhydrazinylidene]acetate
CID 172802821
N,N'-bis(2-benzylphenyl)oxamide
CID 2749119
ethyl (Z)-2-amino-3-(4-benzylthiophen-3-yl)prop-2-enoate
CID 163627306
ethyl (2E)-2-amino-2-[[2-(3-fluorophenyl)acetyl]hydrazinylidene]acetate
CID 90344506
2-amino-N-(2-benzylphenyl)-3-methylpentanamide
CID 24700723
ethyl 2-amino-2-[(2-fluorobenzoyl)hydrazinylidene]acetate
CID 174974451
(2S)-2-amino-N-(2-benzylphenyl)propanamide
CID 770490
ethyl (2Z)-2-amino-2-[[(2R)-3-benzylsulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]hydrazinylidene]acetate
CID 10365040
ethyl (2E)-2-chloro-2-[[2-[(E)-2-phenylethenyl]phenyl]hydrazinylidene]acetate
CID 134869594
ethyl 6-(2-benzylanilino)-5-chloropyridine-3-carboxylate
CID 68966447

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-amino-2-[(2-benzylphenyl)hydrazinylidene]acetate?
The IUPAC name of ethyl (2Z)-2-amino-2-[(2-benzylphenyl)hydrazinylidene]acetate (CID 12857760) is ethyl (2Z)-2-amino-2-[(2-benzylphenyl)hydrazinylidene]acetate.
What is the SMILES notation for ethyl (2Z)-2-amino-2-[(2-benzylphenyl)hydrazinylidene]acetate?
The canonical SMILES for ethyl (2Z)-2-amino-2-[(2-benzylphenyl)hydrazinylidene]acetate is CCOC(=O)/C(N)=N/Nc1ccccc1Cc1ccccc1.
What is the InChIKey of ethyl (2Z)-2-amino-2-[(2-benzylphenyl)hydrazinylidene]acetate?
The InChIKey is BBMDKUKSTXEWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-2-22-17(21)16(18)20-19-15-11-7-6-10-14(15)12-13-8-4-3-5-9-13/h3-11,19H,2,12H2,1H3,(H2,18,20).
What are the key properties of ethyl (2Z)-2-amino-2-[(2-benzylphenyl)hydrazinylidene]acetate?
ethyl (2Z)-2-amino-2-[(2-benzylphenyl)hydrazinylidene]acetate has a molecular weight of 297.36 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-amino-2-[(2-benzylphenyl)hydrazinylidene]acetate is sourced from PubChem (CID 12857760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).