ethyl (3Z)-3-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]-2-ethylbutanoate

C20H29N3O5 — CID 6275505

IUPACethyl (3Z)-3-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]-2-ethylbutanoate
SMILESCCOC(=O)C(CC)/C(C)=N\NC(=O)CCC(=O)Nc1ccc(OCC)cc1
InChIInChI=1S/C20H29N3O5/c1-5-17(20(26)28-7-3)14(4)22-23-19(25)13-12-18(24)21-15-8-10-16(11-9-15)27-6-2/h8-11,17H,5-7,12-13H2,1-4H3,(H,21,24)(H,23,25)/b22-14-
InChIKeyHHRXRTVCQJQMFY-HMAPJEAMSA-N
MW391.47 g/mol
LogP2.89
Rot. Bonds11

About ethyl (3Z)-3-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]-2-ethylbutanoate

ethyl (3Z)-3-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]-2-ethylbutanoate (PubChem CID 6275505) has the molecular formula C20H29N3O5 and a molecular weight of 391.47 g/mol. Its IUPAC name is ethyl (3Z)-3-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]-2-ethylbutanoate.

Molecular Properties

Compound Nameethyl (3Z)-3-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]-2-ethylbutanoate
PubChem CID6275505
Molecular FormulaC20H29N3O5
Molecular Weight391.47 g/mol
Exact Mass391.21
IUPAC Nameethyl (3Z)-3-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]-2-ethylbutanoate
SMILESCCOC(=O)C(CC)/C(C)=N\NC(=O)CCC(=O)Nc1ccc(OCC)cc1
InChIInChI=1S/C20H29N3O5/c1-5-17(20(26)28-7-3)14(4)22-23-19(25)13-12-18(24)21-15-8-10-16(11-9-15)27-6-2/h8-11,17H,5-7,12-13H2,1-4H3,(H,21,24)(H,23,25)/b22-14-
InChIKeyHHRXRTVCQJQMFY-HMAPJEAMSA-N
XLogP2.89
TPSA106.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl (3Z)-3-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]-2-ethylbutanoate 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 3-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]butanoate
CID 5118044
N-[(Z)-[4-(4-ethoxyanilino)-4-oxobutan-2-ylidene]amino]pentanamide
CID 6104390
N-(4-ethoxyphenyl)-N'-[(E)-1-phenylhexylideneamino]butanediamide
CID 6392223
ethyl 2-ethyl-3-(phenylcarbamothioylhydrazinylidene)butanoate
CID 5088683
diethyl 2-[(4-ethoxyanilino)methyl]propanedioate
CID 10244822
N-(4-ethoxyphenyl)-N'-(furan-2-ylmethylideneamino)butanediamide
CID 3584762
N-(4-ethoxyphenyl)-N'-[(Z)-1-(4-nitrophenyl)ethylideneamino]butanediamide
CID 6067598
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
4-[2-[6-[2-[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinyl]-6-oxohexanoyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5119959
4-[2-[5-[2-[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinyl]-5-oxopentanoyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5119958
2-(4-acetamidoanilino)-N-(4-ethoxyphenyl)acetamide
CID 54808313
tert-butyl 4-(4-ethoxyanilino)-4-oxobutanoate
CID 106706844

Frequently Asked Questions

What is the IUPAC name of ethyl (3Z)-3-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]-2-ethylbutanoate?
The IUPAC name of ethyl (3Z)-3-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]-2-ethylbutanoate (CID 6275505) is ethyl (3Z)-3-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]-2-ethylbutanoate.
What is the SMILES notation for ethyl (3Z)-3-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]-2-ethylbutanoate?
The canonical SMILES for ethyl (3Z)-3-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]-2-ethylbutanoate is CCOC(=O)C(CC)/C(C)=N\NC(=O)CCC(=O)Nc1ccc(OCC)cc1.
What is the InChIKey of ethyl (3Z)-3-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]-2-ethylbutanoate?
The InChIKey is HHRXRTVCQJQMFY-HMAPJEAMSA-N. The full InChI is InChI=1S/C20H29N3O5/c1-5-17(20(26)28-7-3)14(4)22-23-19(25)13-12-18(24)21-15-8-10-16(11-9-15)27-6-2/h8-11,17H,5-7,12-13H2,1-4H3,(H,21,24)(H,23,25)/b22-14-.
What are the key properties of ethyl (3Z)-3-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]-2-ethylbutanoate?
ethyl (3Z)-3-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]-2-ethylbutanoate has a molecular weight of 391.47 g/mol, XLogP of 2.89, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3Z)-3-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]-2-ethylbutanoate is sourced from PubChem (CID 6275505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).