N'-[2-(3,5-dimethylphenoxy)acetyl]-4-phenylmethoxybenzohydrazide

C24H24N2O4 — CID 4933087

IUPACN'-[2-(3,5-dimethylphenoxy)acetyl]-4-phenylmethoxybenzohydrazide
SMILESCc1cc(C)cc(OCC(=O)NNC(=O)c2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C24H24N2O4/c1-17-12-18(2)14-22(13-17)30-16-23(27)25-26-24(28)20-8-10-21(11-9-20)29-15-19-6-4-3-5-7-19/h3-14H,15-16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyOQFBAWWSBUMVGM-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.72
Rot. Bonds7

About N'-[2-(3,5-dimethylphenoxy)acetyl]-4-phenylmethoxybenzohydrazide

N'-[2-(3,5-dimethylphenoxy)acetyl]-4-phenylmethoxybenzohydrazide (PubChem CID 4933087) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is N'-[2-(3,5-dimethylphenoxy)acetyl]-4-phenylmethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(3,5-dimethylphenoxy)acetyl]-4-phenylmethoxybenzohydrazide
PubChem CID4933087
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC NameN'-[2-(3,5-dimethylphenoxy)acetyl]-4-phenylmethoxybenzohydrazide
SMILESCc1cc(C)cc(OCC(=O)NNC(=O)c2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C24H24N2O4/c1-17-12-18(2)14-22(13-17)30-16-23(27)25-26-24(28)20-8-10-21(11-9-20)29-15-19-6-4-3-5-7-19/h3-14H,15-16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyOQFBAWWSBUMVGM-UHFFFAOYSA-N
XLogP3.72
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N'-[2-(3,5-dimethylphenoxy)acetyl]benzohydrazide
CID 4936299
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide
CID 167832722
N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(methoxymethyl)benzohydrazide
CID 26259356
methyl 4-[[(4-phenylmethoxybenzoyl)amino]carbamoyl]benzoate
CID 17178415
4-benzoyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 7601018
N-[[[2-(3,5-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide
CID 4504681
N'-[2-(3,5-dimethylphenoxy)acetyl]-3,4-difluorobenzohydrazide
CID 30483036
4-methyl-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide
CID 809232
1-ethyl-3-methyl-2-oxo-N'-[2-(4-phenylmethoxyphenoxy)acetyl]quinoxaline-6-carbohydrazide
CID 24538873
N-methyl-4-phenylmethoxybenzamide
CID 2996745
N'-[2-(4-methoxyphenoxy)acetyl]-4-(2-phenylethoxy)benzohydrazide
CID 4956591
N'-[2-(4-ethylphenoxy)acetyl]-4-(2-phenoxyethoxy)benzohydrazide
CID 4952907

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,5-dimethylphenoxy)acetyl]-4-phenylmethoxybenzohydrazide?
The IUPAC name of N'-[2-(3,5-dimethylphenoxy)acetyl]-4-phenylmethoxybenzohydrazide (CID 4933087) is N'-[2-(3,5-dimethylphenoxy)acetyl]-4-phenylmethoxybenzohydrazide.
What is the SMILES notation for N'-[2-(3,5-dimethylphenoxy)acetyl]-4-phenylmethoxybenzohydrazide?
The canonical SMILES for N'-[2-(3,5-dimethylphenoxy)acetyl]-4-phenylmethoxybenzohydrazide is Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccc(OCc3ccccc3)cc2)c1.
What is the InChIKey of N'-[2-(3,5-dimethylphenoxy)acetyl]-4-phenylmethoxybenzohydrazide?
The InChIKey is OQFBAWWSBUMVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-17-12-18(2)14-22(13-17)30-16-23(27)25-26-24(28)20-8-10-21(11-9-20)29-15-19-6-4-3-5-7-19/h3-14H,15-16H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N'-[2-(3,5-dimethylphenoxy)acetyl]-4-phenylmethoxybenzohydrazide?
N'-[2-(3,5-dimethylphenoxy)acetyl]-4-phenylmethoxybenzohydrazide has a molecular weight of 404.47 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,5-dimethylphenoxy)acetyl]-4-phenylmethoxybenzohydrazide is sourced from PubChem (CID 4933087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).