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

C15H20N2O5 — CID 9086442

IUPACethyl 4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)NNC(=O)c1ccc(OCC)cc1
InChIInChI=1S/C15H20N2O5/c1-3-21-12-7-5-11(6-8-12)15(20)17-16-13(18)9-10-14(19)22-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,16,18)(H,17,20)
InChIKeyLVIMODIRNRMGMG-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.19
Rot. Bonds7

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

ethyl 4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutanoate (PubChem CID 9086442) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is ethyl 4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutanoate
PubChem CID9086442
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Nameethyl 4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)NNC(=O)c1ccc(OCC)cc1
InChIInChI=1S/C15H20N2O5/c1-3-21-12-7-5-11(6-8-12)15(20)17-16-13(18)9-10-14(19)22-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,16,18)(H,17,20)
InChIKeyLVIMODIRNRMGMG-UHFFFAOYSA-N
XLogP1.19
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[2-(4-ethylbenzoyl)hydrazinyl]-4-oxobutanoate
CID 9088083
4-ethoxy-N'-[4-(4-methoxyphenoxy)butanoyl]benzohydrazide
CID 9492733
4-chloro-N'-[4-(4-ethoxyphenoxy)butanoyl]benzohydrazide
CID 8014621
4-ethoxy-N'-[5-(4-methylphenyl)pentanoyl]benzohydrazide
CID 60602190
ethyl 4-[2-(3-methylbenzoyl)hydrazinyl]-4-oxobutanoate
CID 5119710
N-(3-chloro-2-methylphenyl)-4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutanamide
CID 4948709
N'-(4-butoxybenzoyl)-4-ethoxybenzohydrazide
CID 7979581
4-ethoxy-N'-[2-(4-hydroxyphenyl)acetyl]benzohydrazide
CID 78821862
N'-[2-(4-ethoxyphenyl)acetyl]-4-ethylbenzohydrazide
CID 78780592
1-N',4-N'-bis(4-methoxybenzoyl)butanedihydrazide
CID 3140699
N-[4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide
CID 39756465
N'-butanoyl-4-butoxybenzohydrazide
CID 17340318

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutanoate?
The IUPAC name of ethyl 4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutanoate (CID 9086442) is ethyl 4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutanoate is CCOC(=O)CCC(=O)NNC(=O)c1ccc(OCC)cc1.
What is the InChIKey of ethyl 4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutanoate?
The InChIKey is LVIMODIRNRMGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-3-21-12-7-5-11(6-8-12)15(20)17-16-13(18)9-10-14(19)22-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,16,18)(H,17,20).
What are the key properties of ethyl 4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutanoate?
ethyl 4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutanoate has a molecular weight of 308.33 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(4-ethoxybenzoyl)hydrazinyl]-4-oxobutanoate is sourced from PubChem (CID 9086442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).