2-ethyl-2-(hydroxymethyl)-N'-(4-propylphenyl)butanehydrazide

C16H26N2O2 — CID 166283098

IUPAC2-ethyl-2-(hydroxymethyl)-N'-(4-propylphenyl)butanehydrazide
SMILESCCCc1ccc(NNC(=O)C(CC)(CC)CO)cc1
InChIInChI=1S/C16H26N2O2/c1-4-7-13-8-10-14(11-9-13)17-18-15(20)16(5-2,6-3)12-19/h8-11,17,19H,4-7,12H2,1-3H3,(H,18,20)
InChIKeySXSBLCBZNUXCES-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.88
Rot. Bonds8

About 2-ethyl-2-(hydroxymethyl)-N'-(4-propylphenyl)butanehydrazide

2-ethyl-2-(hydroxymethyl)-N'-(4-propylphenyl)butanehydrazide (PubChem CID 166283098) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-ethyl-2-(hydroxymethyl)-N'-(4-propylphenyl)butanehydrazide.

Molecular Properties

Compound Name2-ethyl-2-(hydroxymethyl)-N'-(4-propylphenyl)butanehydrazide
PubChem CID166283098
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-ethyl-2-(hydroxymethyl)-N'-(4-propylphenyl)butanehydrazide
SMILESCCCc1ccc(NNC(=O)C(CC)(CC)CO)cc1
InChIInChI=1S/C16H26N2O2/c1-4-7-13-8-10-14(11-9-13)17-18-15(20)16(5-2,6-3)12-19/h8-11,17,19H,4-7,12H2,1-3H3,(H,18,20)
InChIKeySXSBLCBZNUXCES-UHFFFAOYSA-N
XLogP2.88
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.88
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-(hydroxymethyl)-N'-(4-propylphenyl)butanehydrazide?
The IUPAC name of 2-ethyl-2-(hydroxymethyl)-N'-(4-propylphenyl)butanehydrazide (CID 166283098) is 2-ethyl-2-(hydroxymethyl)-N'-(4-propylphenyl)butanehydrazide.
What is the SMILES notation for 2-ethyl-2-(hydroxymethyl)-N'-(4-propylphenyl)butanehydrazide?
The canonical SMILES for 2-ethyl-2-(hydroxymethyl)-N'-(4-propylphenyl)butanehydrazide is CCCc1ccc(NNC(=O)C(CC)(CC)CO)cc1.
What is the InChIKey of 2-ethyl-2-(hydroxymethyl)-N'-(4-propylphenyl)butanehydrazide?
The InChIKey is SXSBLCBZNUXCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-7-13-8-10-14(11-9-13)17-18-15(20)16(5-2,6-3)12-19/h8-11,17,19H,4-7,12H2,1-3H3,(H,18,20).
What are the key properties of 2-ethyl-2-(hydroxymethyl)-N'-(4-propylphenyl)butanehydrazide?
2-ethyl-2-(hydroxymethyl)-N'-(4-propylphenyl)butanehydrazide has a molecular weight of 278.40 g/mol, XLogP of 2.88, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(hydroxymethyl)-N'-(4-propylphenyl)butanehydrazide is sourced from PubChem (CID 166283098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).