[2-methoxy-4-[(tetradecanoylhydrazinylidene)methyl]phenyl] 4-propoxybenzoate

C32H46N2O5 — CID 5020419

IUPAC[2-methoxy-4-[(tetradecanoylhydrazinylidene)methyl]phenyl] 4-propoxybenzoate
SMILESCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCCC)cc2)c(OC)c1
InChIInChI=1S/C32H46N2O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-31(35)34-33-25-26-17-22-29(30(24-26)37-3)39-32(36)27-18-20-28(21-19-27)38-23-5-2/h17-22,24-25H,4-16,23H2,1-3H3,(H,34,35)
InChIKeyUKFQMGQGJMXKGL-UHFFFAOYSA-N
MW538.73 g/mol
LogP7.85
Rot. Bonds20

About [2-methoxy-4-[(tetradecanoylhydrazinylidene)methyl]phenyl] 4-propoxybenzoate

[2-methoxy-4-[(tetradecanoylhydrazinylidene)methyl]phenyl] 4-propoxybenzoate (PubChem CID 5020419) has the molecular formula C32H46N2O5 and a molecular weight of 538.73 g/mol. Its IUPAC name is [2-methoxy-4-[(tetradecanoylhydrazinylidene)methyl]phenyl] 4-propoxybenzoate.

Molecular Properties

Compound Name[2-methoxy-4-[(tetradecanoylhydrazinylidene)methyl]phenyl] 4-propoxybenzoate
PubChem CID5020419
Molecular FormulaC32H46N2O5
Molecular Weight538.73 g/mol
Exact Mass538.34
IUPAC Name[2-methoxy-4-[(tetradecanoylhydrazinylidene)methyl]phenyl] 4-propoxybenzoate
SMILESCCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCCC)cc2)c(OC)c1
InChIInChI=1S/C32H46N2O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-31(35)34-33-25-26-17-22-29(30(24-26)37-3)39-32(36)27-18-20-28(21-19-27)38-23-5-2/h17-22,24-25H,4-16,23H2,1-3H3,(H,34,35)
InChIKeyUKFQMGQGJMXKGL-UHFFFAOYSA-N
XLogP7.85
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.73
LogP ≤ 57.85
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)-(dodecanoylhydrazinylidene)methyl]-2-methoxyphenyl] 4-propoxybenzoate
CID 6151199
[4-[(Z)-(dodecanoylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 6000217
[2-methoxy-4-[[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-butoxybenzoate
CID 3824209
[4-[(Z)-[[2-(4-butoxyphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 6020753
[4-[(Z)-[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-ethoxybenzoate
CID 6091927
[4-[(Z)-[[2-(4-ethylphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-butoxybenzoate
CID 6261178
[4-[(Z)-[[2-(dodecanoylamino)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 6020193
[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenyl] 4-butoxybenzoate
CID 4061810
[4-[(dodecanoylhydrazinylidene)methyl]-2-methoxyphenyl] 3,4-dichlorobenzoate
CID 5048016
[4-[(E)-[(4-tert-butylbenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-propoxybenzoate
CID 51061998
[4-[(Z)-[(4-butoxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-chlorobenzoate
CID 6272067
[4-[[(4-butoxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-chlorobenzoate
CID 5107096

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[(tetradecanoylhydrazinylidene)methyl]phenyl] 4-propoxybenzoate?
The IUPAC name of [2-methoxy-4-[(tetradecanoylhydrazinylidene)methyl]phenyl] 4-propoxybenzoate (CID 5020419) is [2-methoxy-4-[(tetradecanoylhydrazinylidene)methyl]phenyl] 4-propoxybenzoate.
What is the SMILES notation for [2-methoxy-4-[(tetradecanoylhydrazinylidene)methyl]phenyl] 4-propoxybenzoate?
The canonical SMILES for [2-methoxy-4-[(tetradecanoylhydrazinylidene)methyl]phenyl] 4-propoxybenzoate is CCCCCCCCCCCCCC(=O)NN=Cc1ccc(OC(=O)c2ccc(OCCC)cc2)c(OC)c1.
What is the InChIKey of [2-methoxy-4-[(tetradecanoylhydrazinylidene)methyl]phenyl] 4-propoxybenzoate?
The InChIKey is UKFQMGQGJMXKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46N2O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-31(35)34-33-25-26-17-22-29(30(24-26)37-3)39-32(36)27-18-20-28(21-19-27)38-23-5-2/h17-22,24-25H,4-16,23H2,1-3H3,(H,34,35).
What are the key properties of [2-methoxy-4-[(tetradecanoylhydrazinylidene)methyl]phenyl] 4-propoxybenzoate?
[2-methoxy-4-[(tetradecanoylhydrazinylidene)methyl]phenyl] 4-propoxybenzoate has a molecular weight of 538.73 g/mol, XLogP of 7.85, 20 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[(tetradecanoylhydrazinylidene)methyl]phenyl] 4-propoxybenzoate is sourced from PubChem (CID 5020419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).