2-phenoxy-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide

C23H22N2O4 — CID 4940008

IUPAC2-phenoxy-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
SMILESCC(Oc1ccccc1)C(=O)NNC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C23H22N2O4/c1-17(29-19-12-6-3-7-13-19)23(27)25-24-22(26)16-28-21-15-9-8-14-20(21)18-10-4-2-5-11-18/h2-15,17H,16H2,1H3,(H,24,26)(H,25,27)
InChIKeyWWWUQKSWTDQHLA-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.35
Rot. Bonds7

About 2-phenoxy-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide

2-phenoxy-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide (PubChem CID 4940008) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-phenoxy-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide.

Molecular Properties

Compound Name2-phenoxy-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
PubChem CID4940008
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name2-phenoxy-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
SMILESCC(Oc1ccccc1)C(=O)NNC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C23H22N2O4/c1-17(29-19-12-6-3-7-13-19)23(27)25-24-22(26)16-28-21-15-9-8-14-20(21)18-10-4-2-5-11-18/h2-15,17H,16H2,1H3,(H,24,26)(H,25,27)
InChIKeyWWWUQKSWTDQHLA-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
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

(2R)-2-(4-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
CID 42505067
N'-acetyl-2-(2-phenylphenoxy)acetohydrazide
CID 922584
2-methyl-N'-[2-(2-phenylphenoxy)acetyl]pentanehydrazide
CID 78771942
3-methyl-N'-[2-(2-phenylphenoxy)acetyl]butanehydrazide
CID 9470420
[(2S,3S)-3-methyl-1-oxo-1-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]pentan-2-yl]urea
CID 7613261
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-phenoxypropanehydrazide
CID 3473295
N'-[2-(2,4-dibromophenoxy)acetyl]-2-phenoxypropanehydrazide
CID 4940104
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
N'-(2-ethoxyacetyl)-2-phenoxypropanehydrazide
CID 17140894
2-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 4940013
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(4-phenylphenoxy)propanehydrazide
CID 4951968

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide?
The IUPAC name of 2-phenoxy-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide (CID 4940008) is 2-phenoxy-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide.
What is the SMILES notation for 2-phenoxy-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide?
The canonical SMILES for 2-phenoxy-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide is CC(Oc1ccccc1)C(=O)NNC(=O)COc1ccccc1-c1ccccc1.
What is the InChIKey of 2-phenoxy-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide?
The InChIKey is WWWUQKSWTDQHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-17(29-19-12-6-3-7-13-19)23(27)25-24-22(26)16-28-21-15-9-8-14-20(21)18-10-4-2-5-11-18/h2-15,17H,16H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 2-phenoxy-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide?
2-phenoxy-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide has a molecular weight of 390.44 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide is sourced from PubChem (CID 4940008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).