[2-[[[8-[2-[(2-benzoyloxyphenyl)methylidene]hydrazinyl]-8-oxooctanoyl]hydrazinylidene]methyl]phenyl] benzoate

C36H34N4O6 — CID 3282649

IUPAC[2-[[[8-[2-[(2-benzoyloxyphenyl)methylidene]hydrazinyl]-8-oxooctanoyl]hydrazinylidene]methyl]phenyl] benzoate
SMILESO=C(CCCCCCC(=O)NN=Cc1ccccc1OC(=O)c1ccccc1)NN=Cc1ccccc1OC(=O)c1ccccc1
InChIInChI=1S/C36H34N4O6/c41-33(39-37-25-29-19-11-13-21-31(29)45-35(43)27-15-5-3-6-16-27)23-9-1-2-10-24-34(42)40-38-26-30-20-12-14-22-32(30)46-36(44)28-17-7-4-8-18-28/h3-8,11-22,25-26H,1-2,9-10,23-24H2,(H,39,41)(H,40,42)
InChIKeyADZNFWFYOGWXCZ-UHFFFAOYSA-N
MW618.69 g/mol
LogP6.07
Rot. Bonds15

About [2-[[[8-[2-[(2-benzoyloxyphenyl)methylidene]hydrazinyl]-8-oxooctanoyl]hydrazinylidene]methyl]phenyl] benzoate

[2-[[[8-[2-[(2-benzoyloxyphenyl)methylidene]hydrazinyl]-8-oxooctanoyl]hydrazinylidene]methyl]phenyl] benzoate (PubChem CID 3282649) has the molecular formula C36H34N4O6 and a molecular weight of 618.69 g/mol. Its IUPAC name is [2-[[[8-[2-[(2-benzoyloxyphenyl)methylidene]hydrazinyl]-8-oxooctanoyl]hydrazinylidene]methyl]phenyl] benzoate.

Molecular Properties

Compound Name[2-[[[8-[2-[(2-benzoyloxyphenyl)methylidene]hydrazinyl]-8-oxooctanoyl]hydrazinylidene]methyl]phenyl] benzoate
PubChem CID3282649
Molecular FormulaC36H34N4O6
Molecular Weight618.69 g/mol
Exact Mass618.25
IUPAC Name[2-[[[8-[2-[(2-benzoyloxyphenyl)methylidene]hydrazinyl]-8-oxooctanoyl]hydrazinylidene]methyl]phenyl] benzoate
SMILESO=C(CCCCCCC(=O)NN=Cc1ccccc1OC(=O)c1ccccc1)NN=Cc1ccccc1OC(=O)c1ccccc1
InChIInChI=1S/C36H34N4O6/c41-33(39-37-25-29-19-11-13-21-31(29)45-35(43)27-15-5-3-6-16-27)23-9-1-2-10-24-34(42)40-38-26-30-20-12-14-22-32(30)46-36(44)28-17-7-4-8-18-28/h3-8,11-22,25-26H,1-2,9-10,23-24H2,(H,39,41)(H,40,42)
InChIKeyADZNFWFYOGWXCZ-UHFFFAOYSA-N
XLogP6.07
TPSA135.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.69
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [2-[[[8-[2-[(2-benzoyloxyphenyl)methylidene]hydrazinyl]-8-oxooctanoyl]hydrazinylidene]methyl]phenyl] benzoate with MolForge

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Related Compounds

[2-[(Z)-[[9-[(2Z)-2-[[2-(4-methoxybenzoyl)oxyphenyl]methylidene]hydrazinyl]-9-oxononanoyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 6019219
[3-benzoyloxy-4-[(Z)-(decanoylhydrazinylidene)methyl]phenyl] benzoate
CID 6115923
[4-[[[6-[2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]-6-oxohexanoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 4631127
N,N'-bis[(Z)-(2-phenylmethoxyphenyl)methylideneamino]heptanediamide
CID 6089663
[2-[[[3-[2-[[2-(4-methoxybenzoyl)oxyphenyl]methylidene]hydrazinyl]-3-oxopropanoyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 4604297
[2-[[[4-[(2E)-2-[(2-benzoyloxy-5-bromophenyl)methylidene]hydrazinyl]-4-oxobutanoyl]hydrazinylidene]methyl]-4-bromophenyl] benzoate
CID 125115444
[4-[(Z)-(octadecanoylhydrazinylidene)methyl]phenyl] benzoate
CID 98298326
[4-[(heptanoylhydrazinylidene)methyl]phenyl] benzoate
CID 3690699
N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]decanediamide
CID 135555032
N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]hexadecanamide
CID 51060625
[2-[(E)-[[2-(4-methylmorpholin-4-ium-4-yl)acetyl]hydrazinylidene]methyl]phenyl] benzoate chloride
CID 129185181
[2-ethoxy-4-[(octadecanoylhydrazinylidene)methyl]phenyl] benzoate
CID 5020169

Frequently Asked Questions

What is the IUPAC name of [2-[[[8-[2-[(2-benzoyloxyphenyl)methylidene]hydrazinyl]-8-oxooctanoyl]hydrazinylidene]methyl]phenyl] benzoate?
The IUPAC name of [2-[[[8-[2-[(2-benzoyloxyphenyl)methylidene]hydrazinyl]-8-oxooctanoyl]hydrazinylidene]methyl]phenyl] benzoate (CID 3282649) is [2-[[[8-[2-[(2-benzoyloxyphenyl)methylidene]hydrazinyl]-8-oxooctanoyl]hydrazinylidene]methyl]phenyl] benzoate.
What is the SMILES notation for [2-[[[8-[2-[(2-benzoyloxyphenyl)methylidene]hydrazinyl]-8-oxooctanoyl]hydrazinylidene]methyl]phenyl] benzoate?
The canonical SMILES for [2-[[[8-[2-[(2-benzoyloxyphenyl)methylidene]hydrazinyl]-8-oxooctanoyl]hydrazinylidene]methyl]phenyl] benzoate is O=C(CCCCCCC(=O)NN=Cc1ccccc1OC(=O)c1ccccc1)NN=Cc1ccccc1OC(=O)c1ccccc1.
What is the InChIKey of [2-[[[8-[2-[(2-benzoyloxyphenyl)methylidene]hydrazinyl]-8-oxooctanoyl]hydrazinylidene]methyl]phenyl] benzoate?
The InChIKey is ADZNFWFYOGWXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34N4O6/c41-33(39-37-25-29-19-11-13-21-31(29)45-35(43)27-15-5-3-6-16-27)23-9-1-2-10-24-34(42)40-38-26-30-20-12-14-22-32(30)46-36(44)28-17-7-4-8-18-28/h3-8,11-22,25-26H,1-2,9-10,23-24H2,(H,39,41)(H,40,42).
What are the key properties of [2-[[[8-[2-[(2-benzoyloxyphenyl)methylidene]hydrazinyl]-8-oxooctanoyl]hydrazinylidene]methyl]phenyl] benzoate?
[2-[[[8-[2-[(2-benzoyloxyphenyl)methylidene]hydrazinyl]-8-oxooctanoyl]hydrazinylidene]methyl]phenyl] benzoate has a molecular weight of 618.69 g/mol, XLogP of 6.07, 15 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[[8-[2-[(2-benzoyloxyphenyl)methylidene]hydrazinyl]-8-oxooctanoyl]hydrazinylidene]methyl]phenyl] benzoate is sourced from PubChem (CID 3282649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).