[3-benzoyloxy-4-[(Z)-(decanoylhydrazinylidene)methyl]phenyl] benzoate

C31H34N2O5 — CID 6115923

IUPAC[3-benzoyloxy-4-[(Z)-(decanoylhydrazinylidene)methyl]phenyl] benzoate
SMILESCCCCCCCCCC(=O)N/N=C\c1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1
InChIInChI=1S/C31H34N2O5/c1-2-3-4-5-6-7-14-19-29(34)33-32-23-26-20-21-27(37-30(35)24-15-10-8-11-16-24)22-28(26)38-31(36)25-17-12-9-13-18-25/h8-13,15-18,20-23H,2-7,14,19H2,1H3,(H,33,34)/b32-23-
InChIKeyHZZWOEXVIBMPGR-SJIPCVTESA-N
MW514.62 g/mol
LogP6.72
Rot. Bonds14

About [3-benzoyloxy-4-[(Z)-(decanoylhydrazinylidene)methyl]phenyl] benzoate

[3-benzoyloxy-4-[(Z)-(decanoylhydrazinylidene)methyl]phenyl] benzoate (PubChem CID 6115923) has the molecular formula C31H34N2O5 and a molecular weight of 514.62 g/mol. Its IUPAC name is [3-benzoyloxy-4-[(Z)-(decanoylhydrazinylidene)methyl]phenyl] benzoate.

Molecular Properties

Compound Name[3-benzoyloxy-4-[(Z)-(decanoylhydrazinylidene)methyl]phenyl] benzoate
PubChem CID6115923
Molecular FormulaC31H34N2O5
Molecular Weight514.62 g/mol
Exact Mass514.25
IUPAC Name[3-benzoyloxy-4-[(Z)-(decanoylhydrazinylidene)methyl]phenyl] benzoate
SMILESCCCCCCCCCC(=O)N/N=C\c1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1
InChIInChI=1S/C31H34N2O5/c1-2-3-4-5-6-7-14-19-29(34)33-32-23-26-20-21-27(37-30(35)24-15-10-8-11-16-24)22-28(26)38-31(36)25-17-12-9-13-18-25/h8-13,15-18,20-23H,2-7,14,19H2,1H3,(H,33,34)/b32-23-
InChIKeyHZZWOEXVIBMPGR-SJIPCVTESA-N
XLogP6.72
TPSA94.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.62
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

[4-[(Z)-(octadecanoylhydrazinylidene)methyl]phenyl] benzoate
CID 98298326
[4-[(heptanoylhydrazinylidene)methyl]phenyl] benzoate
CID 3690699
[2-[[[8-[2-[(2-benzoyloxyphenyl)methylidene]hydrazinyl]-8-oxooctanoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 3282649
[2-[(Z)-[[9-[(2Z)-2-[[2-(4-methoxybenzoyl)oxyphenyl]methylidene]hydrazinyl]-9-oxononanoyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 6019219
[2-ethoxy-4-[(octadecanoylhydrazinylidene)methyl]phenyl] benzoate
CID 5020169
[4-[(E)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 51060557
[4-[(Z)-[[2-(4-butoxyphenoxy)acetyl]hydrazinylidene]methyl]-3-(4-chlorobenzoyl)oxyphenyl] 4-chlorobenzoate
CID 6058007
[3-[(hexadecanoylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate
CID 3792883
[4-[(E)-(hexadecanoylhydrazinylidene)methyl]phenyl] 3-chlorobenzoate
CID 51061076
[4-[(octadecanoylhydrazinylidene)methyl]phenyl] 3-chlorobenzoate
CID 75610373
[4-[[[6-[2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]-6-oxohexanoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 4631127
[4-[(dodecanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 3458071

Frequently Asked Questions

What is the IUPAC name of [3-benzoyloxy-4-[(Z)-(decanoylhydrazinylidene)methyl]phenyl] benzoate?
The IUPAC name of [3-benzoyloxy-4-[(Z)-(decanoylhydrazinylidene)methyl]phenyl] benzoate (CID 6115923) is [3-benzoyloxy-4-[(Z)-(decanoylhydrazinylidene)methyl]phenyl] benzoate.
What is the SMILES notation for [3-benzoyloxy-4-[(Z)-(decanoylhydrazinylidene)methyl]phenyl] benzoate?
The canonical SMILES for [3-benzoyloxy-4-[(Z)-(decanoylhydrazinylidene)methyl]phenyl] benzoate is CCCCCCCCCC(=O)N/N=C\c1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1.
What is the InChIKey of [3-benzoyloxy-4-[(Z)-(decanoylhydrazinylidene)methyl]phenyl] benzoate?
The InChIKey is HZZWOEXVIBMPGR-SJIPCVTESA-N. The full InChI is InChI=1S/C31H34N2O5/c1-2-3-4-5-6-7-14-19-29(34)33-32-23-26-20-21-27(37-30(35)24-15-10-8-11-16-24)22-28(26)38-31(36)25-17-12-9-13-18-25/h8-13,15-18,20-23H,2-7,14,19H2,1H3,(H,33,34)/b32-23-.
What are the key properties of [3-benzoyloxy-4-[(Z)-(decanoylhydrazinylidene)methyl]phenyl] benzoate?
[3-benzoyloxy-4-[(Z)-(decanoylhydrazinylidene)methyl]phenyl] benzoate has a molecular weight of 514.62 g/mol, XLogP of 6.72, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-benzoyloxy-4-[(Z)-(decanoylhydrazinylidene)methyl]phenyl] benzoate is sourced from PubChem (CID 6115923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).