N'-[2-(4-tert-butylphenoxy)acetyl]-3-phenylpropanehydrazide

C21H26N2O3 — CID 3127650

IUPACN'-[2-(4-tert-butylphenoxy)acetyl]-3-phenylpropanehydrazide
SMILESCC(C)(C)c1ccc(OCC(=O)NNC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C21H26N2O3/c1-21(2,3)17-10-12-18(13-11-17)26-15-20(25)23-22-19(24)14-9-16-7-5-4-6-8-16/h4-8,10-13H,9,14-15H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyRJQJPVSYNOAAJM-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.14
Rot. Bonds6

About N'-[2-(4-tert-butylphenoxy)acetyl]-3-phenylpropanehydrazide

N'-[2-(4-tert-butylphenoxy)acetyl]-3-phenylpropanehydrazide (PubChem CID 3127650) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N'-[2-(4-tert-butylphenoxy)acetyl]-3-phenylpropanehydrazide.

Molecular Properties

Compound NameN'-[2-(4-tert-butylphenoxy)acetyl]-3-phenylpropanehydrazide
PubChem CID3127650
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN'-[2-(4-tert-butylphenoxy)acetyl]-3-phenylpropanehydrazide
SMILESCC(C)(C)c1ccc(OCC(=O)NNC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C21H26N2O3/c1-21(2,3)17-10-12-18(13-11-17)26-15-20(25)23-22-19(24)14-9-16-7-5-4-6-8-16/h4-8,10-13H,9,14-15H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyRJQJPVSYNOAAJM-UHFFFAOYSA-N
XLogP3.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.14
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-tert-butylphenoxy)acetyl]-3-phenylpropanehydrazide?
The IUPAC name of N'-[2-(4-tert-butylphenoxy)acetyl]-3-phenylpropanehydrazide (CID 3127650) is N'-[2-(4-tert-butylphenoxy)acetyl]-3-phenylpropanehydrazide.
What is the SMILES notation for N'-[2-(4-tert-butylphenoxy)acetyl]-3-phenylpropanehydrazide?
The canonical SMILES for N'-[2-(4-tert-butylphenoxy)acetyl]-3-phenylpropanehydrazide is CC(C)(C)c1ccc(OCC(=O)NNC(=O)CCc2ccccc2)cc1.
What is the InChIKey of N'-[2-(4-tert-butylphenoxy)acetyl]-3-phenylpropanehydrazide?
The InChIKey is RJQJPVSYNOAAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-21(2,3)17-10-12-18(13-11-17)26-15-20(25)23-22-19(24)14-9-16-7-5-4-6-8-16/h4-8,10-13H,9,14-15H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(4-tert-butylphenoxy)acetyl]-3-phenylpropanehydrazide?
N'-[2-(4-tert-butylphenoxy)acetyl]-3-phenylpropanehydrazide has a molecular weight of 354.45 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-tert-butylphenoxy)acetyl]-3-phenylpropanehydrazide is sourced from PubChem (CID 3127650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).