2-methyl-N'-[2-(2-phenylphenoxy)acetyl]pentanehydrazide

C20H24N2O3 — CID 78771942

IUPAC2-methyl-N'-[2-(2-phenylphenoxy)acetyl]pentanehydrazide
SMILESCCCC(C)C(=O)NNC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-3-9-15(2)20(24)22-21-19(23)14-25-18-13-8-7-12-17(18)16-10-5-4-6-11-16/h4-8,10-13,15H,3,9,14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyIERJXJMKDOSVOE-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.32
Rot. Bonds7

About 2-methyl-N'-[2-(2-phenylphenoxy)acetyl]pentanehydrazide

2-methyl-N'-[2-(2-phenylphenoxy)acetyl]pentanehydrazide (PubChem CID 78771942) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-methyl-N'-[2-(2-phenylphenoxy)acetyl]pentanehydrazide.

Molecular Properties

Compound Name2-methyl-N'-[2-(2-phenylphenoxy)acetyl]pentanehydrazide
PubChem CID78771942
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-methyl-N'-[2-(2-phenylphenoxy)acetyl]pentanehydrazide
SMILESCCCC(C)C(=O)NNC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-3-9-15(2)20(24)22-21-19(23)14-25-18-13-8-7-12-17(18)16-10-5-4-6-11-16/h4-8,10-13,15H,3,9,14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyIERJXJMKDOSVOE-UHFFFAOYSA-N
XLogP3.32
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.32
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

(2S)-2-phenyl-N'-[2-(2-phenylphenoxy)acetyl]pentanehydrazide
CID 7978392
3-methyl-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide
CID 9470420
2-phenoxy-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
CID 4940008
[(2S,3S)-3-methyl-1-oxo-1-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]pentan-2-yl]urea
CID 7613261
N'-acetyl-2-(2-phenylphenoxy)acetohydrazide
CID 922584
methyl N-[4-methyl-1-oxo-1-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]pentan-2-yl]carbamate
CID 47985288
2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 5089372
(2R)-2-(4-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
CID 42505067
2-(2-phenylphenoxy)-N-propylacetamide
CID 112788813
N-[(2S)-3-methylbutan-2-yl]-2-(2-phenylphenoxy)acetamide
CID 8923326
3-ethylsulfanyl-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
CID 55786556
1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide
CID 3554709

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[2-(2-phenylphenoxy)acetyl]pentanehydrazide?
The IUPAC name of 2-methyl-N'-[2-(2-phenylphenoxy)acetyl]pentanehydrazide (CID 78771942) is 2-methyl-N'-[2-(2-phenylphenoxy)acetyl]pentanehydrazide.
What is the SMILES notation for 2-methyl-N'-[2-(2-phenylphenoxy)acetyl]pentanehydrazide?
The canonical SMILES for 2-methyl-N'-[2-(2-phenylphenoxy)acetyl]pentanehydrazide is CCCC(C)C(=O)NNC(=O)COc1ccccc1-c1ccccc1.
What is the InChIKey of 2-methyl-N'-[2-(2-phenylphenoxy)acetyl]pentanehydrazide?
The InChIKey is IERJXJMKDOSVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-3-9-15(2)20(24)22-21-19(23)14-25-18-13-8-7-12-17(18)16-10-5-4-6-11-16/h4-8,10-13,15H,3,9,14H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 2-methyl-N'-[2-(2-phenylphenoxy)acetyl]pentanehydrazide?
2-methyl-N'-[2-(2-phenylphenoxy)acetyl]pentanehydrazide has a molecular weight of 340.42 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[2-(2-phenylphenoxy)acetyl]pentanehydrazide is sourced from PubChem (CID 78771942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).