ethyl (3Z)-3-[[4-(benzylamino)-4-oxobutanoyl]hydrazinylidene]butanoate

C17H23N3O4 — CID 6273765

IUPACethyl (3Z)-3-[[4-(benzylamino)-4-oxobutanoyl]hydrazinylidene]butanoate
SMILESCCOC(=O)C/C(C)=N\NC(=O)CCC(=O)NCc1ccccc1
InChIInChI=1S/C17H23N3O4/c1-3-24-17(23)11-13(2)19-20-16(22)10-9-15(21)18-12-14-7-5-4-6-8-14/h4-8H,3,9-12H2,1-2H3,(H,18,21)(H,20,22)/b19-13-
InChIKeyQNDIBEWFQKOGAH-UYRXBGFRSA-N
MW333.39 g/mol
LogP1.53
Rot. Bonds9

About ethyl (3Z)-3-[[4-(benzylamino)-4-oxobutanoyl]hydrazinylidene]butanoate

ethyl (3Z)-3-[[4-(benzylamino)-4-oxobutanoyl]hydrazinylidene]butanoate (PubChem CID 6273765) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is ethyl (3Z)-3-[[4-(benzylamino)-4-oxobutanoyl]hydrazinylidene]butanoate.

Molecular Properties

Compound Nameethyl (3Z)-3-[[4-(benzylamino)-4-oxobutanoyl]hydrazinylidene]butanoate
PubChem CID6273765
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Nameethyl (3Z)-3-[[4-(benzylamino)-4-oxobutanoyl]hydrazinylidene]butanoate
SMILESCCOC(=O)C/C(C)=N\NC(=O)CCC(=O)NCc1ccccc1
InChIInChI=1S/C17H23N3O4/c1-3-24-17(23)11-13(2)19-20-16(22)10-9-15(21)18-12-14-7-5-4-6-8-14/h4-8H,3,9-12H2,1-2H3,(H,18,21)(H,20,22)/b19-13-
InChIKeyQNDIBEWFQKOGAH-UYRXBGFRSA-N
XLogP1.53
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(benzylamino)-4-oxobutanoyl]hydrazinylidene]butanoate 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 (3E)-3-[[4-(benzylamino)-4-oxobutanoyl]hydrazinylidene]butanoate
CID 5368572
ethyl (3Z)-3-[(4-anilino-4-oxobutanoyl)hydrazinylidene]butanoate
CID 6151884
ethyl 3-[(2-naphthalen-1-ylacetyl)hydrazinylidene]butanoate
CID 3402197
N-benzyl-N'-[1-(furan-2-yl)ethylideneamino]butanediamide
CID 3424450
N,N'-bis[(Z)-1-phenylpropan-2-ylideneamino]butanediamide
CID 6379679
ethyl 3-[4-(1,4-dioxo-3H-phthalazin-2-yl)butanoylhydrazinylidene]butanoate
CID 134811771
benzene;ethyl N-benzylcarbamate
CID 67715166
ethyl 3-[(2,2-diphenylacetyl)hydrazinylidene]butanoate
CID 5235371
N-benzyl-N'-[1-(4-hydroxyphenyl)propylideneamino]butanediamide
CID 5141586
N-benzyl-N'-[1-(4-chlorophenyl)ethylideneamino]butanediamide
CID 3144325
N'-[1-(3-aminophenyl)ethylideneamino]-N-benzylbutanediamide
CID 3960617
ethyl (3Z)-3-[[(1S,2R)-2-phenylcyclopropanecarbonyl]hydrazinylidene]butanoate
CID 40524833

Frequently Asked Questions

What is the IUPAC name of ethyl (3Z)-3-[[4-(benzylamino)-4-oxobutanoyl]hydrazinylidene]butanoate?
The IUPAC name of ethyl (3Z)-3-[[4-(benzylamino)-4-oxobutanoyl]hydrazinylidene]butanoate (CID 6273765) is ethyl (3Z)-3-[[4-(benzylamino)-4-oxobutanoyl]hydrazinylidene]butanoate.
What is the SMILES notation for ethyl (3Z)-3-[[4-(benzylamino)-4-oxobutanoyl]hydrazinylidene]butanoate?
The canonical SMILES for ethyl (3Z)-3-[[4-(benzylamino)-4-oxobutanoyl]hydrazinylidene]butanoate is CCOC(=O)C/C(C)=N\NC(=O)CCC(=O)NCc1ccccc1.
What is the InChIKey of ethyl (3Z)-3-[[4-(benzylamino)-4-oxobutanoyl]hydrazinylidene]butanoate?
The InChIKey is QNDIBEWFQKOGAH-UYRXBGFRSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-3-24-17(23)11-13(2)19-20-16(22)10-9-15(21)18-12-14-7-5-4-6-8-14/h4-8H,3,9-12H2,1-2H3,(H,18,21)(H,20,22)/b19-13-.
What are the key properties of ethyl (3Z)-3-[[4-(benzylamino)-4-oxobutanoyl]hydrazinylidene]butanoate?
ethyl (3Z)-3-[[4-(benzylamino)-4-oxobutanoyl]hydrazinylidene]butanoate has a molecular weight of 333.39 g/mol, XLogP of 1.53, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3Z)-3-[[4-(benzylamino)-4-oxobutanoyl]hydrazinylidene]butanoate is sourced from PubChem (CID 6273765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).