ethyl 3-[2-(2,4-dichlorophenoxy)propanoylhydrazinylidene]butanoate

C15H18Cl2N2O4 — CID 3329057

IUPACethyl 3-[2-(2,4-dichlorophenoxy)propanoylhydrazinylidene]butanoate
SMILESCCOC(=O)CC(C)=NNC(=O)C(C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H18Cl2N2O4/c1-4-22-14(20)7-9(2)18-19-15(21)10(3)23-13-6-5-11(16)8-12(13)17/h5-6,8,10H,4,7H2,1-3H3,(H,19,21)
InChIKeyVLALATSGHYACJC-UHFFFAOYSA-N
MW361.23 g/mol
LogP3.21
Rot. Bonds7

About ethyl 3-[2-(2,4-dichlorophenoxy)propanoylhydrazinylidene]butanoate

ethyl 3-[2-(2,4-dichlorophenoxy)propanoylhydrazinylidene]butanoate (PubChem CID 3329057) has the molecular formula C15H18Cl2N2O4 and a molecular weight of 361.23 g/mol. Its IUPAC name is ethyl 3-[2-(2,4-dichlorophenoxy)propanoylhydrazinylidene]butanoate.

Molecular Properties

Compound Nameethyl 3-[2-(2,4-dichlorophenoxy)propanoylhydrazinylidene]butanoate
PubChem CID3329057
Molecular FormulaC15H18Cl2N2O4
Molecular Weight361.23 g/mol
Exact Mass360.06
IUPAC Nameethyl 3-[2-(2,4-dichlorophenoxy)propanoylhydrazinylidene]butanoate
SMILESCCOC(=O)CC(C)=NNC(=O)C(C)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H18Cl2N2O4/c1-4-22-14(20)7-9(2)18-19-15(21)10(3)23-13-6-5-11(16)8-12(13)17/h5-6,8,10H,4,7H2,1-3H3,(H,19,21)
InChIKeyVLALATSGHYACJC-UHFFFAOYSA-N
XLogP3.21
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 53.21
H-Bond Donors ≤ 51
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'}

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Related Compounds

(2R)-2-(2,4-dichlorophenoxy)-N-ethoxypropanamide
CID 30690113
ethyl 2-[4-[[2-(2,4-dichlorophenoxy)propanoylhydrazinylidene]methyl]-2-methoxyphenoxy]acetate
CID 3302228
2-(2,4-dichlorophenoxy)-N-[(E)-1-phenylpentylideneamino]propanamide
CID 6258918
(2S)-2-(2,4-dichlorophenoxy)-N-[[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]hydrazinylidene]cyclohexylidene]amino]propanamide
CID 124538015
(2R)-2-(2,4-dichlorophenoxy)-N-[[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]hydrazinylidene]cyclohexylidene]amino]propanamide
CID 124538013
2-(4-chloro-2-methylphenoxy)-N-(3-methylbutan-2-ylideneamino)propanamide
CID 4165286
(2S)-2-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylbutanoic acid
CID 61138004
(2S)-2-(2,4-dichlorophenoxy)-N-[(Z)-1-naphthalen-2-ylethylideneamino]propanamide
CID 7114974
2-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylpentanoic acid
CID 3825551
(2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 2169643
1-N',4-N'-bis[2-(2,4-dichlorophenoxy)propanoyl]benzene-1,4-dicarbohydrazide
CID 3359373
(2R)-N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1010932

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(2,4-dichlorophenoxy)propanoylhydrazinylidene]butanoate?
The IUPAC name of ethyl 3-[2-(2,4-dichlorophenoxy)propanoylhydrazinylidene]butanoate (CID 3329057) is ethyl 3-[2-(2,4-dichlorophenoxy)propanoylhydrazinylidene]butanoate.
What is the SMILES notation for ethyl 3-[2-(2,4-dichlorophenoxy)propanoylhydrazinylidene]butanoate?
The canonical SMILES for ethyl 3-[2-(2,4-dichlorophenoxy)propanoylhydrazinylidene]butanoate is CCOC(=O)CC(C)=NNC(=O)C(C)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of ethyl 3-[2-(2,4-dichlorophenoxy)propanoylhydrazinylidene]butanoate?
The InChIKey is VLALATSGHYACJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O4/c1-4-22-14(20)7-9(2)18-19-15(21)10(3)23-13-6-5-11(16)8-12(13)17/h5-6,8,10H,4,7H2,1-3H3,(H,19,21).
What are the key properties of ethyl 3-[2-(2,4-dichlorophenoxy)propanoylhydrazinylidene]butanoate?
ethyl 3-[2-(2,4-dichlorophenoxy)propanoylhydrazinylidene]butanoate has a molecular weight of 361.23 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(2,4-dichlorophenoxy)propanoylhydrazinylidene]butanoate is sourced from PubChem (CID 3329057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).