ethyl 3-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]butanoate

C18H25N3O5 — CID 5118044

IUPACethyl 3-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]butanoate
SMILESCCOC(=O)CC(C)=NNC(=O)CCC(=O)Nc1ccc(OCC)cc1
InChIInChI=1S/C18H25N3O5/c1-4-25-15-8-6-14(7-9-15)19-16(22)10-11-17(23)21-20-13(3)12-18(24)26-5-2/h6-9H,4-5,10-12H2,1-3H3,(H,19,22)(H,21,23)
InChIKeyNWSUTLWJNHSDAK-UHFFFAOYSA-N
MW363.41 g/mol
LogP2.25
Rot. Bonds10

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

ethyl 3-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]butanoate (PubChem CID 5118044) has the molecular formula C18H25N3O5 and a molecular weight of 363.41 g/mol. Its IUPAC name is ethyl 3-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]butanoate.

Molecular Properties

Compound Nameethyl 3-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]butanoate
PubChem CID5118044
Molecular FormulaC18H25N3O5
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Nameethyl 3-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]butanoate
SMILESCCOC(=O)CC(C)=NNC(=O)CCC(=O)Nc1ccc(OCC)cc1
InChIInChI=1S/C18H25N3O5/c1-4-25-15-8-6-14(7-9-15)19-16(22)10-11-17(23)21-20-13(3)12-18(24)26-5-2/h6-9H,4-5,10-12H2,1-3H3,(H,19,22)(H,21,23)
InChIKeyNWSUTLWJNHSDAK-UHFFFAOYSA-N
XLogP2.25
TPSA106.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.25
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'}

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Related Compounds

ethyl (3Z)-3-[(4-anilino-4-oxobutanoyl)hydrazinylidene]butanoate
CID 6151884
N-[(Z)-[4-(4-ethoxyanilino)-4-oxobutan-2-ylidene]amino]pentanamide
CID 6104390
ethyl (3Z)-3-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]-2-ethylbutanoate
CID 6275505
tert-butyl 4-(4-ethoxyanilino)-4-oxobutanoate
CID 106706844
N'-[(4-ethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
CID 3986274
N-(4-ethoxyphenyl)-N'-[(Z)-1-(4-nitrophenyl)ethylideneamino]butanediamide
CID 6067598
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
(3E)-N-(4-ethoxyphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide
CID 171978946
N-(4-ethoxyphenyl)-N'-[(E)-1-phenylhexylideneamino]butanediamide
CID 6392223
4-[2-[5-[2-[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinyl]-5-oxopentanoyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5119958
4-[2-[6-[2-[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinyl]-6-oxohexanoyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5119959
4-[2-[9-[2-[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinyl]-9-oxononanoyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5119960

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]butanoate?
The IUPAC name of ethyl 3-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]butanoate (CID 5118044) is ethyl 3-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]butanoate.
What is the SMILES notation for ethyl 3-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]butanoate?
The canonical SMILES for ethyl 3-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]butanoate is CCOC(=O)CC(C)=NNC(=O)CCC(=O)Nc1ccc(OCC)cc1.
What is the InChIKey of ethyl 3-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]butanoate?
The InChIKey is NWSUTLWJNHSDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5/c1-4-25-15-8-6-14(7-9-15)19-16(22)10-11-17(23)21-20-13(3)12-18(24)26-5-2/h6-9H,4-5,10-12H2,1-3H3,(H,19,22)(H,21,23).
What are the key properties of ethyl 3-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]butanoate?
ethyl 3-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]butanoate has a molecular weight of 363.41 g/mol, XLogP of 2.25, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]butanoate is sourced from PubChem (CID 5118044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).