N'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide

C20H24N2O3 — CID 9168927

IUPACN'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide
SMILESCC(C)(C)c1ccc(OCCC(=O)NNC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H24N2O3/c1-20(2,3)16-9-11-17(12-10-16)25-14-13-18(23)21-22-19(24)15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyKFIBVMAHGASZIP-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.21
Rot. Bonds5

About N'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide

N'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide (PubChem CID 9168927) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide.

Molecular Properties

Compound NameN'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide
PubChem CID9168927
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide
SMILESCC(C)(C)c1ccc(OCCC(=O)NNC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H24N2O3/c1-20(2,3)16-9-11-17(12-10-16)25-14-13-18(23)21-22-19(24)15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyKFIBVMAHGASZIP-UHFFFAOYSA-N
XLogP3.21
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.21
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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Related Compounds

N'-[3-(4-methylphenoxy)propanoyl]benzohydrazide
CID 7969097
4-bromo-N'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide
CID 18272580
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 40621307
4-tert-butyl-N'-[2-(4-tert-butylphenoxy)acetyl]benzohydrazide
CID 3311747
N'-butanoyl-4-(2-phenoxyethoxy)benzohydrazide
CID 17340326
N-(4-tert-butylphenyl)-3-phenoxypropanamide
CID 7658805
3-(dimethylamino)-N'-(3-phenoxypropanoyl)benzohydrazide
CID 30486316
4-(2-phenoxyethoxy)-N'-(3-phenylpropanoyl)benzohydrazide
CID 4952848
3-(4-tert-butylphenoxy)-N-ethylpropanamide
CID 60630698
3,4,5-trimethoxy-N'-(3-phenoxypropanoyl)benzohydrazide
CID 2117105
N'-[4-(4-tert-butylphenoxy)butanoyl]thiophene-2-carbohydrazide
CID 9479298
4-hexoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide
CID 46423810

Frequently Asked Questions

What is the IUPAC name of N'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide?
The IUPAC name of N'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide (CID 9168927) is N'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide.
What is the SMILES notation for N'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide?
The canonical SMILES for N'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide is CC(C)(C)c1ccc(OCCC(=O)NNC(=O)c2ccccc2)cc1.
What is the InChIKey of N'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide?
The InChIKey is KFIBVMAHGASZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-20(2,3)16-9-11-17(12-10-16)25-14-13-18(23)21-22-19(24)15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide?
N'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide has a molecular weight of 340.42 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide is sourced from PubChem (CID 9168927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).