3-cyclopentyl-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide

C22H26N2O3 — CID 7978371

IUPAC3-cyclopentyl-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
SMILESO=C(CCC1CCCC1)NNC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C22H26N2O3/c25-21(15-14-17-8-4-5-9-17)23-24-22(26)16-27-20-13-7-6-12-19(20)18-10-2-1-3-11-18/h1-3,6-7,10-13,17H,4-5,8-9,14-16H2,(H,23,25)(H,24,26)
InChIKeyKLUFRHPEHWVIRQ-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.85
Rot. Bonds7

About 3-cyclopentyl-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide

3-cyclopentyl-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide (PubChem CID 7978371) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 3-cyclopentyl-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide.

Molecular Properties

Compound Name3-cyclopentyl-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
PubChem CID7978371
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name3-cyclopentyl-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
SMILESO=C(CCC1CCCC1)NNC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C22H26N2O3/c25-21(15-14-17-8-4-5-9-17)23-24-22(26)16-27-20-13-7-6-12-19(20)18-10-2-1-3-11-18/h1-3,6-7,10-13,17H,4-5,8-9,14-16H2,(H,23,25)(H,24,26)
InChIKeyKLUFRHPEHWVIRQ-UHFFFAOYSA-N
XLogP3.85
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.85
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-cyclopentyl-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide?
The IUPAC name of 3-cyclopentyl-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide (CID 7978371) is 3-cyclopentyl-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide.
What is the SMILES notation for 3-cyclopentyl-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide?
The canonical SMILES for 3-cyclopentyl-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide is O=C(CCC1CCCC1)NNC(=O)COc1ccccc1-c1ccccc1.
What is the InChIKey of 3-cyclopentyl-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide?
The InChIKey is KLUFRHPEHWVIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c25-21(15-14-17-8-4-5-9-17)23-24-22(26)16-27-20-13-7-6-12-19(20)18-10-2-1-3-11-18/h1-3,6-7,10-13,17H,4-5,8-9,14-16H2,(H,23,25)(H,24,26).
What are the key properties of 3-cyclopentyl-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide?
3-cyclopentyl-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide has a molecular weight of 366.46 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide is sourced from PubChem (CID 7978371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).