2-ethyl-2-hydroxy-N'-(2-methylphenyl)butanehydrazide

C13H20N2O2 — CID 18488

IUPAC2-ethyl-2-hydroxy-N'-(2-methylphenyl)butanehydrazide
SMILESCCC(O)(CC)C(=O)NNc1ccccc1C
InChIInChI=1S/C13H20N2O2/c1-4-13(17,5-2)12(16)15-14-11-9-7-6-8-10(11)3/h6-9,14,17H,4-5H2,1-3H3,(H,15,16)
InChIKeyHDLUSZXJYBIFPI-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.99
Rot. Bonds5

About 2-ethyl-2-hydroxy-N'-(2-methylphenyl)butanehydrazide

2-ethyl-2-hydroxy-N'-(2-methylphenyl)butanehydrazide (PubChem CID 18488) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-ethyl-2-hydroxy-N'-(2-methylphenyl)butanehydrazide.

Molecular Properties

Compound Name2-ethyl-2-hydroxy-N'-(2-methylphenyl)butanehydrazide
PubChem CID18488
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-ethyl-2-hydroxy-N'-(2-methylphenyl)butanehydrazide
SMILESCCC(O)(CC)C(=O)NNc1ccccc1C
InChIInChI=1S/C13H20N2O2/c1-4-13(17,5-2)12(16)15-14-11-9-7-6-8-10(11)3/h6-9,14,17H,4-5H2,1-3H3,(H,15,16)
InChIKeyHDLUSZXJYBIFPI-UHFFFAOYSA-N
XLogP1.99
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.99
H-Bond Donors ≤ 53
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 2-ethyl-2-hydroxy-N'-(2-methylphenyl)butanehydrazide?
The IUPAC name of 2-ethyl-2-hydroxy-N'-(2-methylphenyl)butanehydrazide (CID 18488) is 2-ethyl-2-hydroxy-N'-(2-methylphenyl)butanehydrazide.
What is the SMILES notation for 2-ethyl-2-hydroxy-N'-(2-methylphenyl)butanehydrazide?
The canonical SMILES for 2-ethyl-2-hydroxy-N'-(2-methylphenyl)butanehydrazide is CCC(O)(CC)C(=O)NNc1ccccc1C.
What is the InChIKey of 2-ethyl-2-hydroxy-N'-(2-methylphenyl)butanehydrazide?
The InChIKey is HDLUSZXJYBIFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-13(17,5-2)12(16)15-14-11-9-7-6-8-10(11)3/h6-9,14,17H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 2-ethyl-2-hydroxy-N'-(2-methylphenyl)butanehydrazide?
2-ethyl-2-hydroxy-N'-(2-methylphenyl)butanehydrazide has a molecular weight of 236.31 g/mol, XLogP of 1.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-hydroxy-N'-(2-methylphenyl)butanehydrazide is sourced from PubChem (CID 18488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).