2-(3-pentadecylphenoxy)acetohydrazide

C23H40N2O2 — CID 3088311

IUPAC2-(3-pentadecylphenoxy)acetohydrazide
SMILESCCCCCCCCCCCCCCCc1cccc(OCC(=O)NN)c1
InChIInChI=1S/C23H40N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-21-17-15-18-22(19-21)27-20-23(26)25-24/h15,17-19H,2-14,16,20,24H2,1H3,(H,25,26)
InChIKeyMLKSUETVVUKEIB-UHFFFAOYSA-N
MW376.59 g/mol
LogP5.69
Rot. Bonds17

About 2-(3-pentadecylphenoxy)acetohydrazide

2-(3-pentadecylphenoxy)acetohydrazide (PubChem CID 3088311) has the molecular formula C23H40N2O2 and a molecular weight of 376.59 g/mol. Its IUPAC name is 2-(3-pentadecylphenoxy)acetohydrazide.

Molecular Properties

Compound Name2-(3-pentadecylphenoxy)acetohydrazide
PubChem CID3088311
Molecular FormulaC23H40N2O2
Molecular Weight376.59 g/mol
Exact Mass376.31
IUPAC Name2-(3-pentadecylphenoxy)acetohydrazide
SMILESCCCCCCCCCCCCCCCc1cccc(OCC(=O)NN)c1
InChIInChI=1S/C23H40N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-21-17-15-18-22(19-21)27-20-23(26)25-24/h15,17-19H,2-14,16,20,24H2,1H3,(H,25,26)
InChIKeyMLKSUETVVUKEIB-UHFFFAOYSA-N
XLogP5.69
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.59
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 2-(3-pentadecylphenoxy)acetohydrazide?
The IUPAC name of 2-(3-pentadecylphenoxy)acetohydrazide (CID 3088311) is 2-(3-pentadecylphenoxy)acetohydrazide.
What is the SMILES notation for 2-(3-pentadecylphenoxy)acetohydrazide?
The canonical SMILES for 2-(3-pentadecylphenoxy)acetohydrazide is CCCCCCCCCCCCCCCc1cccc(OCC(=O)NN)c1.
What is the InChIKey of 2-(3-pentadecylphenoxy)acetohydrazide?
The InChIKey is MLKSUETVVUKEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-21-17-15-18-22(19-21)27-20-23(26)25-24/h15,17-19H,2-14,16,20,24H2,1H3,(H,25,26).
What are the key properties of 2-(3-pentadecylphenoxy)acetohydrazide?
2-(3-pentadecylphenoxy)acetohydrazide has a molecular weight of 376.59 g/mol, XLogP of 5.69, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pentadecylphenoxy)acetohydrazide is sourced from PubChem (CID 3088311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).