N'-[2-(4-ethylphenoxy)acetyl]cyclobutanecarbohydrazide

C15H20N2O3 — CID 8746373

IUPACN'-[2-(4-ethylphenoxy)acetyl]cyclobutanecarbohydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)C2CCC2)cc1
InChIInChI=1S/C15H20N2O3/c1-2-11-6-8-13(9-7-11)20-10-14(18)16-17-15(19)12-4-3-5-12/h6-9,12H,2-5,10H2,1H3,(H,16,18)(H,17,19)
InChIKeyWDBKZNPJBUYYMB-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.58
Rot. Bonds5

About N'-[2-(4-ethylphenoxy)acetyl]cyclobutanecarbohydrazide

N'-[2-(4-ethylphenoxy)acetyl]cyclobutanecarbohydrazide (PubChem CID 8746373) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N'-[2-(4-ethylphenoxy)acetyl]cyclobutanecarbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-ethylphenoxy)acetyl]cyclobutanecarbohydrazide
PubChem CID8746373
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN'-[2-(4-ethylphenoxy)acetyl]cyclobutanecarbohydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)C2CCC2)cc1
InChIInChI=1S/C15H20N2O3/c1-2-11-6-8-13(9-7-11)20-10-14(18)16-17-15(19)12-4-3-5-12/h6-9,12H,2-5,10H2,1H3,(H,16,18)(H,17,19)
InChIKeyWDBKZNPJBUYYMB-UHFFFAOYSA-N
XLogP1.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.58
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 N'-[2-(4-ethylphenoxy)acetyl]cyclobutanecarbohydrazide?
The IUPAC name of N'-[2-(4-ethylphenoxy)acetyl]cyclobutanecarbohydrazide (CID 8746373) is N'-[2-(4-ethylphenoxy)acetyl]cyclobutanecarbohydrazide.
What is the SMILES notation for N'-[2-(4-ethylphenoxy)acetyl]cyclobutanecarbohydrazide?
The canonical SMILES for N'-[2-(4-ethylphenoxy)acetyl]cyclobutanecarbohydrazide is CCc1ccc(OCC(=O)NNC(=O)C2CCC2)cc1.
What is the InChIKey of N'-[2-(4-ethylphenoxy)acetyl]cyclobutanecarbohydrazide?
The InChIKey is WDBKZNPJBUYYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-11-6-8-13(9-7-11)20-10-14(18)16-17-15(19)12-4-3-5-12/h6-9,12H,2-5,10H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N'-[2-(4-ethylphenoxy)acetyl]cyclobutanecarbohydrazide?
N'-[2-(4-ethylphenoxy)acetyl]cyclobutanecarbohydrazide has a molecular weight of 276.34 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-ethylphenoxy)acetyl]cyclobutanecarbohydrazide is sourced from PubChem (CID 8746373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).