ethyl (2Z)-2-[(4-aminophenyl)-methylhydrazinylidene]-3-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propanoate

C16H25N5O2 — CID 143565604

IUPACethyl (2Z)-2-[(4-aminophenyl)-methylhydrazinylidene]-3-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propanoate
SMILESCCOC(=O)/C(CN(C)/C=C\NC)=N\N(C)c1ccc(N)cc1
InChIInChI=1S/C16H25N5O2/c1-5-23-16(22)15(12-20(3)11-10-18-2)19-21(4)14-8-6-13(17)7-9-14/h6-11,18H,5,12,17H2,1-4H3/b11-10-,19-15-
InChIKeyBOTCAPMPSDXZGF-SRBSUVAHSA-N
MW319.41 g/mol
LogP1.25
Rot. Bonds8

About ethyl (2Z)-2-[(4-aminophenyl)-methylhydrazinylidene]-3-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propanoate

ethyl (2Z)-2-[(4-aminophenyl)-methylhydrazinylidene]-3-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propanoate (PubChem CID 143565604) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is ethyl (2Z)-2-[(4-aminophenyl)-methylhydrazinylidene]-3-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propanoate.

Molecular Properties

Compound Nameethyl (2Z)-2-[(4-aminophenyl)-methylhydrazinylidene]-3-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propanoate
PubChem CID143565604
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Nameethyl (2Z)-2-[(4-aminophenyl)-methylhydrazinylidene]-3-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propanoate
SMILESCCOC(=O)/C(CN(C)/C=C\NC)=N\N(C)c1ccc(N)cc1
InChIInChI=1S/C16H25N5O2/c1-5-23-16(22)15(12-20(3)11-10-18-2)19-21(4)14-8-6-13(17)7-9-14/h6-11,18H,5,12,17H2,1-4H3/b11-10-,19-15-
InChIKeyBOTCAPMPSDXZGF-SRBSUVAHSA-N
XLogP1.25
TPSA83.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl (2Z)-2-[(4-aminophenyl)-methylhydrazinylidene]-3-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propanoate 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 (2Z)-2-[[4-[(2,4-dihydroxyphenyl)methylamino]phenyl]-methylhydrazinylidene]-3-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propanoate
CID 143565779
4-N-methyl-4-N-[(E)-1-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propan-2-ylideneamino]benzene-1,4-diamine
CID 143565667
[(Z)-2-[[(2Z)-3-ethoxy-2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-3-oxopropyl]-methylamino]ethenyl]-methylazanium
CID 143565726
ethyl 2-[methyl(phenyl)hydrazinylidene]propanoate
CID 72730658
N-(4-aminophenyl)-2-[methoxy(methyl)amino]-N-methylacetamide
CID 43627611
ethyl 2-(4-amino-N-ethylanilino)acetate
CID 63233621
[(E)-N-[4-[4-(diethylamino)anilino]-N-methylanilino]-C-ethoxycarbonylcarbonimidoyl]-[(Z)-2-(dimethylamino)ethenyl]-methylazanium;ethane
CID 143565674
ethyl 2-(N-acetyl-4-aminoanilino)acetate
CID 18005693
2-(4-amino-N-ethylanilino)-N-methylacetamide
CID 43577916
2-[N-(2-hydroxyethyl)-4-[methyl-[(E)-2-[methyl-[(Z)-2-(methylamino)ethenyl]amino]ethylideneamino]amino]anilino]ethanol
CID 143565589
ethyl 2-[(4-aminophenyl)methylamino]-2-oxoacetate
CID 86009834
ethyl N-(4-aminophenyl)-N-methanimidoylcarbamate
CID 142339589

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[(4-aminophenyl)-methylhydrazinylidene]-3-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propanoate?
The IUPAC name of ethyl (2Z)-2-[(4-aminophenyl)-methylhydrazinylidene]-3-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propanoate (CID 143565604) is ethyl (2Z)-2-[(4-aminophenyl)-methylhydrazinylidene]-3-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propanoate.
What is the SMILES notation for ethyl (2Z)-2-[(4-aminophenyl)-methylhydrazinylidene]-3-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propanoate?
The canonical SMILES for ethyl (2Z)-2-[(4-aminophenyl)-methylhydrazinylidene]-3-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propanoate is CCOC(=O)/C(CN(C)/C=C\NC)=N\N(C)c1ccc(N)cc1.
What is the InChIKey of ethyl (2Z)-2-[(4-aminophenyl)-methylhydrazinylidene]-3-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propanoate?
The InChIKey is BOTCAPMPSDXZGF-SRBSUVAHSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-5-23-16(22)15(12-20(3)11-10-18-2)19-21(4)14-8-6-13(17)7-9-14/h6-11,18H,5,12,17H2,1-4H3/b11-10-,19-15-.
What are the key properties of ethyl (2Z)-2-[(4-aminophenyl)-methylhydrazinylidene]-3-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propanoate?
ethyl (2Z)-2-[(4-aminophenyl)-methylhydrazinylidene]-3-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propanoate has a molecular weight of 319.41 g/mol, XLogP of 1.25, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-[(4-aminophenyl)-methylhydrazinylidene]-3-[methyl-[(Z)-2-(methylamino)ethenyl]amino]propanoate is sourced from PubChem (CID 143565604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).