1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide

C36H30N4O6 — CID 3554709

IUPAC1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide
SMILESO=C(COc1ccccc1-c1ccccc1)NNC(=O)c1ccc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C36H30N4O6/c41-33(23-45-31-17-9-7-15-29(31)25-11-3-1-4-12-25)37-39-35(43)27-19-21-28(22-20-27)36(44)40-38-34(42)24-46-32-18-10-8-16-30(32)26-13-5-2-6-14-26/h1-22H,23-24H2,(H,37,41)(H,38,42)(H,39,43)(H,40,44)
InChIKeyHDEASQMXSKJZNU-UHFFFAOYSA-N
MW614.66 g/mol
LogP4.70
Rot. Bonds10

About 1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide

1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide (PubChem CID 3554709) has the molecular formula C36H30N4O6 and a molecular weight of 614.66 g/mol. Its IUPAC name is 1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide.

Molecular Properties

Compound Name1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide
PubChem CID3554709
Molecular FormulaC36H30N4O6
Molecular Weight614.66 g/mol
Exact Mass614.22
IUPAC Name1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide
SMILESO=C(COc1ccccc1-c1ccccc1)NNC(=O)c1ccc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C36H30N4O6/c41-33(23-45-31-17-9-7-15-29(31)25-11-3-1-4-12-25)37-39-35(43)27-19-21-28(22-20-27)36(44)40-38-34(42)24-46-32-18-10-8-16-30(32)26-13-5-2-6-14-26/h1-22H,23-24H2,(H,37,41)(H,38,42)(H,39,43)(H,40,44)
InChIKeyHDEASQMXSKJZNU-UHFFFAOYSA-N
XLogP4.70
TPSA134.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500614.66
LogP ≤ 54.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]phenyl]methylurea
CID 55333341
4-fluoro-N-[2-oxo-2-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]ethyl]benzamide
CID 26840576
2-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]benzoic acid
CID 5088878
4-bromo-3,5-dimethoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 27568544
N'-acetyl-2-(2-phenylphenoxy)acetohydrazide
CID 922584
2,6-difluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 78771932
2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 5089372
4-(dimethylamino)-3-fluoro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 47839265
4-(3,5-dimethylpyrazol-1-yl)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 26901799
3-nitro-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 5089126
3-bromo-N'-[2-(2-phenylphenoxy)acetyl]-4-propoxybenzohydrazide
CID 17342831
3-(methylsulfanylmethyl)-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 9321776

Frequently Asked Questions

What is the IUPAC name of 1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide?
The IUPAC name of 1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide (CID 3554709) is 1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide.
What is the SMILES notation for 1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide?
The canonical SMILES for 1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide is O=C(COc1ccccc1-c1ccccc1)NNC(=O)c1ccc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)cc1.
What is the InChIKey of 1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide?
The InChIKey is HDEASQMXSKJZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30N4O6/c41-33(23-45-31-17-9-7-15-29(31)25-11-3-1-4-12-25)37-39-35(43)27-19-21-28(22-20-27)36(44)40-38-34(42)24-46-32-18-10-8-16-30(32)26-13-5-2-6-14-26/h1-22H,23-24H2,(H,37,41)(H,38,42)(H,39,43)(H,40,44).
What are the key properties of 1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide?
1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide has a molecular weight of 614.66 g/mol, XLogP of 4.70, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',4-N'-bis[2-(2-phenylphenoxy)acetyl]benzene-1,4-dicarbohydrazide is sourced from PubChem (CID 3554709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).