4-(4-ethoxyphenyl)-4-oxo-N'-phenylbutanehydrazide

C18H20N2O3 — CID 78774846

IUPAC4-(4-ethoxyphenyl)-4-oxo-N'-phenylbutanehydrazide
SMILESCCOc1ccc(C(=O)CCC(=O)NNc2ccccc2)cc1
InChIInChI=1S/C18H20N2O3/c1-2-23-16-10-8-14(9-11-16)17(21)12-13-18(22)20-19-15-6-4-3-5-7-15/h3-11,19H,2,12-13H2,1H3,(H,20,22)
InChIKeyJNZCJTFKERUBHZ-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.19
Rot. Bonds8

About 4-(4-ethoxyphenyl)-4-oxo-N'-phenylbutanehydrazide

4-(4-ethoxyphenyl)-4-oxo-N'-phenylbutanehydrazide (PubChem CID 78774846) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-4-oxo-N'-phenylbutanehydrazide.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-4-oxo-N'-phenylbutanehydrazide
PubChem CID78774846
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name4-(4-ethoxyphenyl)-4-oxo-N'-phenylbutanehydrazide
SMILESCCOc1ccc(C(=O)CCC(=O)NNc2ccccc2)cc1
InChIInChI=1S/C18H20N2O3/c1-2-23-16-10-8-14(9-11-16)17(21)12-13-18(22)20-19-15-6-4-3-5-7-15/h3-11,19H,2,12-13H2,1H3,(H,20,22)
InChIKeyJNZCJTFKERUBHZ-UHFFFAOYSA-N
XLogP3.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.19
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

4-ethoxy-N'-phenylbenzohydrazide
CID 12065813
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CID 78781257
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CID 134046513
N-(2-amino-2-phenylethyl)-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 119529476
N'-[2-(2,6-dimethylphenoxy)acetyl]-4-(4-ethoxyphenyl)-4-oxobutanehydrazide
CID 4816885
4-(4-ethoxyphenyl)-4-oxo-N-(3-phenylprop-2-ynyl)butanamide
CID 51332500
4-(4-ethoxyphenyl)-4-oxo-N-[4-(propanoylamino)phenyl]butanamide
CID 55846229
4-(4-ethoxyphenyl)-N-(2-methylphenyl)-4-oxobutanamide
CID 880605
4-(4-ethoxyphenyl)-N-naphthalen-1-yl-4-oxobutanamide
CID 880449
2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide
CID 34752830
N-(4-ethoxyphenyl)-5-oxo-5-phenylpentanamide
CID 110356036
1-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-3-(2-fluorophenyl)thiourea
CID 9468701

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-4-oxo-N'-phenylbutanehydrazide?
The IUPAC name of 4-(4-ethoxyphenyl)-4-oxo-N'-phenylbutanehydrazide (CID 78774846) is 4-(4-ethoxyphenyl)-4-oxo-N'-phenylbutanehydrazide.
What is the SMILES notation for 4-(4-ethoxyphenyl)-4-oxo-N'-phenylbutanehydrazide?
The canonical SMILES for 4-(4-ethoxyphenyl)-4-oxo-N'-phenylbutanehydrazide is CCOc1ccc(C(=O)CCC(=O)NNc2ccccc2)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-4-oxo-N'-phenylbutanehydrazide?
The InChIKey is JNZCJTFKERUBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-2-23-16-10-8-14(9-11-16)17(21)12-13-18(22)20-19-15-6-4-3-5-7-15/h3-11,19H,2,12-13H2,1H3,(H,20,22).
What are the key properties of 4-(4-ethoxyphenyl)-4-oxo-N'-phenylbutanehydrazide?
4-(4-ethoxyphenyl)-4-oxo-N'-phenylbutanehydrazide has a molecular weight of 312.37 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-4-oxo-N'-phenylbutanehydrazide is sourced from PubChem (CID 78774846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).