3-cyclohexyl-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide

C19H28N2O3 — CID 9472140

IUPAC3-cyclohexyl-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)CCC2CCCCC2)cc1
InChIInChI=1S/C19H28N2O3/c1-2-15-8-11-17(12-9-15)24-14-19(23)21-20-18(22)13-10-16-6-4-3-5-7-16/h8-9,11-12,16H,2-7,10,13-14H2,1H3,(H,20,22)(H,21,23)
InChIKeyWAHJCXDECZRCCZ-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.14
Rot. Bonds7

About 3-cyclohexyl-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide

3-cyclohexyl-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide (PubChem CID 9472140) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 3-cyclohexyl-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide.

Molecular Properties

Compound Name3-cyclohexyl-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide
PubChem CID9472140
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name3-cyclohexyl-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)CCC2CCCCC2)cc1
InChIInChI=1S/C19H28N2O3/c1-2-15-8-11-17(12-9-15)24-14-19(23)21-20-18(22)13-10-16-6-4-3-5-7-16/h8-9,11-12,16H,2-7,10,13-14H2,1H3,(H,20,22)(H,21,23)
InChIKeyWAHJCXDECZRCCZ-UHFFFAOYSA-N
XLogP3.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-cyclohexyl-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide?
The IUPAC name of 3-cyclohexyl-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide (CID 9472140) is 3-cyclohexyl-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide.
What is the SMILES notation for 3-cyclohexyl-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide?
The canonical SMILES for 3-cyclohexyl-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide is CCc1ccc(OCC(=O)NNC(=O)CCC2CCCCC2)cc1.
What is the InChIKey of 3-cyclohexyl-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide?
The InChIKey is WAHJCXDECZRCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-2-15-8-11-17(12-9-15)24-14-19(23)21-20-18(22)13-10-16-6-4-3-5-7-16/h8-9,11-12,16H,2-7,10,13-14H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 3-cyclohexyl-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide?
3-cyclohexyl-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide has a molecular weight of 332.44 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide is sourced from PubChem (CID 9472140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).