N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-phenylacetohydrazide

C24H32N2O3 — CID 17356745

IUPACN'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-phenylacetohydrazide
SMILESCC(C)(C)c1ccc(OCC(=O)NNC(=O)Cc2ccccc2)c(C(C)(C)C)c1
InChIInChI=1S/C24H32N2O3/c1-23(2,3)18-12-13-20(19(15-18)24(4,5)6)29-16-22(28)26-25-21(27)14-17-10-8-7-9-11-17/h7-13,15H,14,16H2,1-6H3,(H,25,27)(H,26,28)
InChIKeySEIAATZDNVDJCU-UHFFFAOYSA-N
MW396.53 g/mol
LogP4.05
Rot. Bonds5

About N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-phenylacetohydrazide

N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-phenylacetohydrazide (PubChem CID 17356745) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-phenylacetohydrazide.

Molecular Properties

Compound NameN'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-phenylacetohydrazide
PubChem CID17356745
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC NameN'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-phenylacetohydrazide
SMILESCC(C)(C)c1ccc(OCC(=O)NNC(=O)Cc2ccccc2)c(C(C)(C)C)c1
InChIInChI=1S/C24H32N2O3/c1-23(2,3)18-12-13-20(19(15-18)24(4,5)6)29-16-22(28)26-25-21(27)14-17-10-8-7-9-11-17/h7-13,15H,14,16H2,1-6H3,(H,25,27)(H,26,28)
InChIKeySEIAATZDNVDJCU-UHFFFAOYSA-N
XLogP4.05
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-phenylacetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,4-ditert-butylphenoxy)acetic acid
CID 794760
N'-[2-(2,4-ditert-butylphenoxy)acetyl]hexanehydrazide
CID 17356816
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(2,4-ditert-butylphenoxy)acetohydrazide
CID 17356768
2-(2,4-ditert-butylphenoxy)-N-(4-phenoxyphenyl)acetamide
CID 17356474
N-[3-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]phenyl]benzamide
CID 17234915
2-(2,4-ditert-butylphenoxy)-N-[8-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]octyl]acetamide
CID 17233420
N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-(4-nitrophenoxy)acetohydrazide
CID 17356770
2-(2,4-ditert-butylphenoxy)-N-(3-hydroxypropyl)acetamide
CID 78821540
3-chloro-N'-[2-(2,4-ditert-butylphenoxy)acetyl]-1-benzothiophene-2-carbohydrazide
CID 17356742
2-(2,4-ditert-butylphenoxy)-N-[2-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 17357144
N-(3-acetylphenyl)-2-(2,4-ditert-butylphenoxy)acetamide
CID 17356505
N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]-2-phenylmethoxybenzohydrazide
CID 17051880

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-phenylacetohydrazide?
The IUPAC name of N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-phenylacetohydrazide (CID 17356745) is N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-phenylacetohydrazide.
What is the SMILES notation for N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-phenylacetohydrazide?
The canonical SMILES for N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-phenylacetohydrazide is CC(C)(C)c1ccc(OCC(=O)NNC(=O)Cc2ccccc2)c(C(C)(C)C)c1.
What is the InChIKey of N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-phenylacetohydrazide?
The InChIKey is SEIAATZDNVDJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-23(2,3)18-12-13-20(19(15-18)24(4,5)6)29-16-22(28)26-25-21(27)14-17-10-8-7-9-11-17/h7-13,15H,14,16H2,1-6H3,(H,25,27)(H,26,28).
What are the key properties of N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-phenylacetohydrazide?
N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-phenylacetohydrazide has a molecular weight of 396.53 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-phenylacetohydrazide is sourced from PubChem (CID 17356745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).