[3-[(hexadecanoylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate

C31H44N2O4 — CID 3792883

IUPAC[3-[(hexadecanoylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate
SMILESCCCCCCCCCCCCCCCC(=O)NN=Cc1cccc(OC(=O)c2ccc(OC)cc2)c1
InChIInChI=1S/C31H44N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-30(34)33-32-25-26-17-16-18-29(24-26)37-31(35)27-20-22-28(36-2)23-21-27/h16-18,20-25H,3-15,19H2,1-2H3,(H,33,34)
InChIKeyGEKCPIBKKQULIT-UHFFFAOYSA-N
MW508.70 g/mol
LogP7.85
Rot. Bonds19

About [3-[(hexadecanoylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate

[3-[(hexadecanoylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate (PubChem CID 3792883) has the molecular formula C31H44N2O4 and a molecular weight of 508.70 g/mol. Its IUPAC name is [3-[(hexadecanoylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate.

Molecular Properties

Compound Name[3-[(hexadecanoylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate
PubChem CID3792883
Molecular FormulaC31H44N2O4
Molecular Weight508.70 g/mol
Exact Mass508.33
IUPAC Name[3-[(hexadecanoylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate
SMILESCCCCCCCCCCCCCCCC(=O)NN=Cc1cccc(OC(=O)c2ccc(OC)cc2)c1
InChIInChI=1S/C31H44N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-30(34)33-32-25-26-17-16-18-29(24-26)37-31(35)27-20-22-28(36-2)23-21-27/h16-18,20-25H,3-15,19H2,1-2H3,(H,33,34)
InChIKeyGEKCPIBKKQULIT-UHFFFAOYSA-N
XLogP7.85
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.70
LogP ≤ 57.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 [3-[(hexadecanoylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate 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-[(Z)-(dodecanoylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 6000217
[4-[(Z)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 6382457
N-[(4-methoxyphenyl)methylideneamino]nonanamide
CID 4175341
N-[2-[(2Z)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]tetradecanamide
CID 98296303
[4-[(Z)-(octadecanoylhydrazinylidene)methyl]phenyl] benzoate
CID 98298326
[4-[(heptanoylhydrazinylidene)methyl]phenyl] benzoate
CID 3690699
[3-[[[2-(4-fluorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 3870967
[3-[(E)-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 51060419
[3-[(carbamothioylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate
CID 958120
[4-[(Z)-[[2-(dodecanoylamino)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 6020193
[4-[(hexadecanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 75609861
[4-[(Z)-(hexadecanoylhydrazinylidene)methyl]phenyl] 4-bromobenzoate
CID 98296299

Frequently Asked Questions

What is the IUPAC name of [3-[(hexadecanoylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate?
The IUPAC name of [3-[(hexadecanoylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate (CID 3792883) is [3-[(hexadecanoylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate.
What is the SMILES notation for [3-[(hexadecanoylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate?
The canonical SMILES for [3-[(hexadecanoylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate is CCCCCCCCCCCCCCCC(=O)NN=Cc1cccc(OC(=O)c2ccc(OC)cc2)c1.
What is the InChIKey of [3-[(hexadecanoylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate?
The InChIKey is GEKCPIBKKQULIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H44N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-30(34)33-32-25-26-17-16-18-29(24-26)37-31(35)27-20-22-28(36-2)23-21-27/h16-18,20-25H,3-15,19H2,1-2H3,(H,33,34).
What are the key properties of [3-[(hexadecanoylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate?
[3-[(hexadecanoylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate has a molecular weight of 508.70 g/mol, XLogP of 7.85, 19 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(hexadecanoylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate is sourced from PubChem (CID 3792883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).