ethyl 4-[2-(4-ethylbenzoyl)hydrazinyl]-4-oxobutanoate

C15H20N2O4 — CID 9088083

IUPACethyl 4-[2-(4-ethylbenzoyl)hydrazinyl]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)NNC(=O)c1ccc(CC)cc1
InChIInChI=1S/C15H20N2O4/c1-3-11-5-7-12(8-6-11)15(20)17-16-13(18)9-10-14(19)21-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,16,18)(H,17,20)
InChIKeyFRSRKIXZACSNND-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.35
Rot. Bonds6

About ethyl 4-[2-(4-ethylbenzoyl)hydrazinyl]-4-oxobutanoate

ethyl 4-[2-(4-ethylbenzoyl)hydrazinyl]-4-oxobutanoate (PubChem CID 9088083) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is ethyl 4-[2-(4-ethylbenzoyl)hydrazinyl]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[2-(4-ethylbenzoyl)hydrazinyl]-4-oxobutanoate
PubChem CID9088083
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Nameethyl 4-[2-(4-ethylbenzoyl)hydrazinyl]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)NNC(=O)c1ccc(CC)cc1
InChIInChI=1S/C15H20N2O4/c1-3-11-5-7-12(8-6-11)15(20)17-16-13(18)9-10-14(19)21-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,16,18)(H,17,20)
InChIKeyFRSRKIXZACSNND-UHFFFAOYSA-N
XLogP1.35
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutanoate
CID 9086442
ethyl 4-[2-(3-methylbenzoyl)hydrazinyl]-4-oxobutanoate
CID 5119710
ethyl 3-[3-[(4-ethylbenzoyl)amino]propanoylamino]propanoate
CID 91714717
ethyl 4-(4-ethylanilino)-4-oxobutanoate
CID 60636835
N'-[2-(4-ethoxyphenyl)acetyl]-4-ethylbenzohydrazide
CID 78780592
N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide
CID 70240593
4-ethyl-N'-[(3R)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoyl]benzohydrazide
CID 9088080
1-N',4-N'-bis(4-methoxybenzoyl)butanedihydrazide
CID 3140699
ethyl 5-(4-ethylanilino)-5-oxopentanoate
CID 91711023
ethyl 4-[(4-ethylphenyl)methoxy]-3-oxobutanoate
CID 18172568
1-O-ethyl 4-O-[(4-methylphenyl)methyl] butanedioate
CID 91703852
4-ethoxy-N'-[5-(4-methylphenyl)pentanoyl]benzohydrazide
CID 60602190

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(4-ethylbenzoyl)hydrazinyl]-4-oxobutanoate?
The IUPAC name of ethyl 4-[2-(4-ethylbenzoyl)hydrazinyl]-4-oxobutanoate (CID 9088083) is ethyl 4-[2-(4-ethylbenzoyl)hydrazinyl]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[2-(4-ethylbenzoyl)hydrazinyl]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[2-(4-ethylbenzoyl)hydrazinyl]-4-oxobutanoate is CCOC(=O)CCC(=O)NNC(=O)c1ccc(CC)cc1.
What is the InChIKey of ethyl 4-[2-(4-ethylbenzoyl)hydrazinyl]-4-oxobutanoate?
The InChIKey is FRSRKIXZACSNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-3-11-5-7-12(8-6-11)15(20)17-16-13(18)9-10-14(19)21-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,16,18)(H,17,20).
What are the key properties of ethyl 4-[2-(4-ethylbenzoyl)hydrazinyl]-4-oxobutanoate?
ethyl 4-[2-(4-ethylbenzoyl)hydrazinyl]-4-oxobutanoate has a molecular weight of 292.34 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(4-ethylbenzoyl)hydrazinyl]-4-oxobutanoate is sourced from PubChem (CID 9088083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).