[4-[(Z)-(octadecanoylhydrazinylidene)methyl]phenyl] benzoate

C32H46N2O3 — CID 98298326

IUPAC[4-[(Z)-(octadecanoylhydrazinylidene)methyl]phenyl] benzoate
SMILESCCCCCCCCCCCCCCCCCC(=O)N/N=C\c1ccc(OC(=O)c2ccccc2)cc1
InChIInChI=1S/C32H46N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-31(35)34-33-27-28-23-25-30(26-24-28)37-32(36)29-20-17-16-18-21-29/h16-18,20-21,23-27H,2-15,19,22H2,1H3,(H,34,35)/b33-27-
InChIKeyAWAZAISIEAIOSR-KGGMANCPSA-N
MW506.73 g/mol
LogP8.62
Rot. Bonds20

About [4-[(Z)-(octadecanoylhydrazinylidene)methyl]phenyl] benzoate

[4-[(Z)-(octadecanoylhydrazinylidene)methyl]phenyl] benzoate (PubChem CID 98298326) has the molecular formula C32H46N2O3 and a molecular weight of 506.73 g/mol. Its IUPAC name is [4-[(Z)-(octadecanoylhydrazinylidene)methyl]phenyl] benzoate.

Molecular Properties

Compound Name[4-[(Z)-(octadecanoylhydrazinylidene)methyl]phenyl] benzoate
PubChem CID98298326
Molecular FormulaC32H46N2O3
Molecular Weight506.73 g/mol
Exact Mass506.35
IUPAC Name[4-[(Z)-(octadecanoylhydrazinylidene)methyl]phenyl] benzoate
SMILESCCCCCCCCCCCCCCCCCC(=O)N/N=C\c1ccc(OC(=O)c2ccccc2)cc1
InChIInChI=1S/C32H46N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-31(35)34-33-27-28-23-25-30(26-24-28)37-32(36)29-20-17-16-18-21-29/h16-18,20-21,23-27H,2-15,19,22H2,1H3,(H,34,35)/b33-27-
InChIKeyAWAZAISIEAIOSR-KGGMANCPSA-N
XLogP8.62
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.73
LogP ≤ 58.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 [4-[(Z)-(octadecanoylhydrazinylidene)methyl]phenyl] benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(heptanoylhydrazinylidene)methyl]phenyl] benzoate
CID 3690699
[4-[[[6-[2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]-6-oxohexanoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 4631127
[4-[(E)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 51060557
[4-[(hexadecanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 75609861
[4-[(Z)-(hexadecanoylhydrazinylidene)methyl]phenyl] 4-bromobenzoate
CID 98296299
[4-[(Z)-(decanoylhydrazinylidene)methyl]phenyl] 4-bromobenzoate
CID 6380374
[4-[(dodecanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 3458071
[4-[(octadecanoylhydrazinylidene)methyl]phenyl] 3-bromobenzoate
CID 75609936
[4-[(E)-(hexadecanoylhydrazinylidene)methyl]phenyl] 3-chlorobenzoate
CID 51061076
[4-[(octadecanoylhydrazinylidene)methyl]phenyl] 3-chlorobenzoate
CID 75610373
[4-[(Z)-(hexadecanoylhydrazinylidene)methyl]phenyl] 2-chlorobenzoate
CID 98298432
[3-benzoyloxy-4-[(Z)-(decanoylhydrazinylidene)methyl]phenyl] benzoate
CID 6115923

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-(octadecanoylhydrazinylidene)methyl]phenyl] benzoate?
The IUPAC name of [4-[(Z)-(octadecanoylhydrazinylidene)methyl]phenyl] benzoate (CID 98298326) is [4-[(Z)-(octadecanoylhydrazinylidene)methyl]phenyl] benzoate.
What is the SMILES notation for [4-[(Z)-(octadecanoylhydrazinylidene)methyl]phenyl] benzoate?
The canonical SMILES for [4-[(Z)-(octadecanoylhydrazinylidene)methyl]phenyl] benzoate is CCCCCCCCCCCCCCCCCC(=O)N/N=C\c1ccc(OC(=O)c2ccccc2)cc1.
What is the InChIKey of [4-[(Z)-(octadecanoylhydrazinylidene)methyl]phenyl] benzoate?
The InChIKey is AWAZAISIEAIOSR-KGGMANCPSA-N. The full InChI is InChI=1S/C32H46N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-31(35)34-33-27-28-23-25-30(26-24-28)37-32(36)29-20-17-16-18-21-29/h16-18,20-21,23-27H,2-15,19,22H2,1H3,(H,34,35)/b33-27-.
What are the key properties of [4-[(Z)-(octadecanoylhydrazinylidene)methyl]phenyl] benzoate?
[4-[(Z)-(octadecanoylhydrazinylidene)methyl]phenyl] benzoate has a molecular weight of 506.73 g/mol, XLogP of 8.62, 20 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-(octadecanoylhydrazinylidene)methyl]phenyl] benzoate is sourced from PubChem (CID 98298326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).