3-(2-ethoxyphenyl)-N'-[2-(3-methylphenoxy)acetyl]propanehydrazide

C20H24N2O4 — CID 51195376

IUPAC3-(2-ethoxyphenyl)-N'-[2-(3-methylphenoxy)acetyl]propanehydrazide
SMILESCCOc1ccccc1CCC(=O)NNC(=O)COc1cccc(C)c1
InChIInChI=1S/C20H24N2O4/c1-3-25-18-10-5-4-8-16(18)11-12-19(23)21-22-20(24)14-26-17-9-6-7-15(2)13-17/h4-10,13H,3,11-12,14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyPOPHKXLIDIFHJS-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.55
Rot. Bonds8

About 3-(2-ethoxyphenyl)-N'-[2-(3-methylphenoxy)acetyl]propanehydrazide

3-(2-ethoxyphenyl)-N'-[2-(3-methylphenoxy)acetyl]propanehydrazide (PubChem CID 51195376) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-N'-[2-(3-methylphenoxy)acetyl]propanehydrazide.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-N'-[2-(3-methylphenoxy)acetyl]propanehydrazide
PubChem CID51195376
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name3-(2-ethoxyphenyl)-N'-[2-(3-methylphenoxy)acetyl]propanehydrazide
SMILESCCOc1ccccc1CCC(=O)NNC(=O)COc1cccc(C)c1
InChIInChI=1S/C20H24N2O4/c1-3-25-18-10-5-4-8-16(18)11-12-19(23)21-22-20(24)14-26-17-9-6-7-15(2)13-17/h4-10,13H,3,11-12,14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyPOPHKXLIDIFHJS-UHFFFAOYSA-N
XLogP2.55
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.55
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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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-N'-[2-(3-methylphenoxy)acetyl]propanehydrazide?
The IUPAC name of 3-(2-ethoxyphenyl)-N'-[2-(3-methylphenoxy)acetyl]propanehydrazide (CID 51195376) is 3-(2-ethoxyphenyl)-N'-[2-(3-methylphenoxy)acetyl]propanehydrazide.
What is the SMILES notation for 3-(2-ethoxyphenyl)-N'-[2-(3-methylphenoxy)acetyl]propanehydrazide?
The canonical SMILES for 3-(2-ethoxyphenyl)-N'-[2-(3-methylphenoxy)acetyl]propanehydrazide is CCOc1ccccc1CCC(=O)NNC(=O)COc1cccc(C)c1.
What is the InChIKey of 3-(2-ethoxyphenyl)-N'-[2-(3-methylphenoxy)acetyl]propanehydrazide?
The InChIKey is POPHKXLIDIFHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-3-25-18-10-5-4-8-16(18)11-12-19(23)21-22-20(24)14-26-17-9-6-7-15(2)13-17/h4-10,13H,3,11-12,14H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 3-(2-ethoxyphenyl)-N'-[2-(3-methylphenoxy)acetyl]propanehydrazide?
3-(2-ethoxyphenyl)-N'-[2-(3-methylphenoxy)acetyl]propanehydrazide has a molecular weight of 356.42 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-N'-[2-(3-methylphenoxy)acetyl]propanehydrazide is sourced from PubChem (CID 51195376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).