3-(4-cyclopentyloxyphenyl)propanehydrazide

C14H20N2O2 — CID 164513639

IUPAC3-(4-cyclopentyloxyphenyl)propanehydrazide
SMILESNNC(=O)CCc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C14H20N2O2/c15-16-14(17)10-7-11-5-8-13(9-6-11)18-12-3-1-2-4-12/h5-6,8-9,12H,1-4,7,10,15H2,(H,16,17)
InChIKeyNTWIIZNMQVAWHK-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.93
Rot. Bonds5

About 3-(4-cyclopentyloxyphenyl)propanehydrazide

3-(4-cyclopentyloxyphenyl)propanehydrazide (PubChem CID 164513639) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-(4-cyclopentyloxyphenyl)propanehydrazide.

Molecular Properties

Compound Name3-(4-cyclopentyloxyphenyl)propanehydrazide
PubChem CID164513639
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-(4-cyclopentyloxyphenyl)propanehydrazide
SMILESNNC(=O)CCc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C14H20N2O2/c15-16-14(17)10-7-11-5-8-13(9-6-11)18-12-3-1-2-4-12/h5-6,8-9,12H,1-4,7,10,15H2,(H,16,17)
InChIKeyNTWIIZNMQVAWHK-UHFFFAOYSA-N
XLogP1.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopentyloxyphenyl)propanehydrazide?
The IUPAC name of 3-(4-cyclopentyloxyphenyl)propanehydrazide (CID 164513639) is 3-(4-cyclopentyloxyphenyl)propanehydrazide.
What is the SMILES notation for 3-(4-cyclopentyloxyphenyl)propanehydrazide?
The canonical SMILES for 3-(4-cyclopentyloxyphenyl)propanehydrazide is NNC(=O)CCc1ccc(OC2CCCC2)cc1.
What is the InChIKey of 3-(4-cyclopentyloxyphenyl)propanehydrazide?
The InChIKey is NTWIIZNMQVAWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-16-14(17)10-7-11-5-8-13(9-6-11)18-12-3-1-2-4-12/h5-6,8-9,12H,1-4,7,10,15H2,(H,16,17).
What are the key properties of 3-(4-cyclopentyloxyphenyl)propanehydrazide?
3-(4-cyclopentyloxyphenyl)propanehydrazide has a molecular weight of 248.33 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopentyloxyphenyl)propanehydrazide is sourced from PubChem (CID 164513639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).