2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide

C23H22N2O4 — CID 5089372

IUPAC2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
SMILESCc1ccccc1OCC(=O)NNC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C23H22N2O4/c1-17-9-5-7-13-20(17)28-15-22(26)24-25-23(27)16-29-21-14-8-6-12-19(21)18-10-3-2-4-11-18/h2-14H,15-16H2,1H3,(H,24,26)(H,25,27)
InChIKeyMLKQNFHOANJLBU-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.27
Rot. Bonds7

About 2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide

2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide (PubChem CID 5089372) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
PubChem CID5089372
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
SMILESCc1ccccc1OCC(=O)NNC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C23H22N2O4/c1-17-9-5-7-13-20(17)28-15-22(26)24-25-23(27)16-29-21-14-8-6-12-19(21)18-10-3-2-4-11-18/h2-14H,15-16H2,1H3,(H,24,26)(H,25,27)
InChIKeyMLKQNFHOANJLBU-UHFFFAOYSA-N
XLogP3.27
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.27
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

N'-acetyl-2-(2-phenylphenoxy)acetohydrazide
CID 922584
3-methyl-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide
CID 9470420
1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide
CID 3554709
2-(2-methylphenyl)-N-[[[2-(2-phenylphenoxy)acetyl]amino]carbamothioyl]acetamide
CID 26164254
3-ethylsulfanyl-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
CID 55786556
3-(4-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
CID 7978332
2-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzoic acid
CID 5088878
2-methyl-N'-[2-(2-phenylphenoxy)acetyl]pentanehydrazide
CID 78771942
5-methyl-N'-[2-(2-phenylphenoxy)acetyl]pyrazine-2-carbohydrazide
CID 2712895
2-(2-phenylphenoxy)-N-propylacetamide
CID 112788813
2,6-difluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 78771932
3-(2-methoxyphenyl)-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
CID 9470380

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide?
The IUPAC name of 2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide (CID 5089372) is 2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide.
What is the SMILES notation for 2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide?
The canonical SMILES for 2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide is Cc1ccccc1OCC(=O)NNC(=O)COc1ccccc1-c1ccccc1.
What is the InChIKey of 2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide?
The InChIKey is MLKQNFHOANJLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-17-9-5-7-13-20(17)28-15-22(26)24-25-23(27)16-29-21-14-8-6-12-19(21)18-10-3-2-4-11-18/h2-14H,15-16H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide?
2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide has a molecular weight of 390.44 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide is sourced from PubChem (CID 5089372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).