[4-[(Z)-(dodecanoylhydrazinylidene)methyl]-2-methoxyphenyl] 4-propoxybenzoate

C30H42N2O5 — CID 6151199

IUPAC[4-[(Z)-(dodecanoylhydrazinylidene)methyl]-2-methoxyphenyl] 4-propoxybenzoate
SMILESCCCCCCCCCCCC(=O)N/N=C\c1ccc(OC(=O)c2ccc(OCCC)cc2)c(OC)c1
InChIInChI=1S/C30H42N2O5/c1-4-6-7-8-9-10-11-12-13-14-29(33)32-31-23-24-15-20-27(28(22-24)35-3)37-30(34)25-16-18-26(19-17-25)36-21-5-2/h15-20,22-23H,4-14,21H2,1-3H3,(H,32,33)/b31-23-
InChIKeyZUKGYUXJGMQHNQ-SXBRIOAWSA-N
MW510.68 g/mol
LogP7.07
Rot. Bonds18

About [4-[(Z)-(dodecanoylhydrazinylidene)methyl]-2-methoxyphenyl] 4-propoxybenzoate

[4-[(Z)-(dodecanoylhydrazinylidene)methyl]-2-methoxyphenyl] 4-propoxybenzoate (PubChem CID 6151199) has the molecular formula C30H42N2O5 and a molecular weight of 510.68 g/mol. Its IUPAC name is [4-[(Z)-(dodecanoylhydrazinylidene)methyl]-2-methoxyphenyl] 4-propoxybenzoate.

Molecular Properties

Compound Name[4-[(Z)-(dodecanoylhydrazinylidene)methyl]-2-methoxyphenyl] 4-propoxybenzoate
PubChem CID6151199
Molecular FormulaC30H42N2O5
Molecular Weight510.68 g/mol
Exact Mass510.31
IUPAC Name[4-[(Z)-(dodecanoylhydrazinylidene)methyl]-2-methoxyphenyl] 4-propoxybenzoate
SMILESCCCCCCCCCCCC(=O)N/N=C\c1ccc(OC(=O)c2ccc(OCCC)cc2)c(OC)c1
InChIInChI=1S/C30H42N2O5/c1-4-6-7-8-9-10-11-12-13-14-29(33)32-31-23-24-15-20-27(28(22-24)35-3)37-30(34)25-16-18-26(19-17-25)36-21-5-2/h15-20,22-23H,4-14,21H2,1-3H3,(H,32,33)/b31-23-
InChIKeyZUKGYUXJGMQHNQ-SXBRIOAWSA-N
XLogP7.07
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.68
LogP ≤ 57.07
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

[2-methoxy-4-[(tetradecanoylhydrazinylidene)methyl]phenyl] 4-propoxybenzoate
CID 5020419
[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 [4-[(Z)-(dodecanoylhydrazinylidene)methyl]-2-methoxyphenyl] 4-propoxybenzoate?
The IUPAC name of [4-[(Z)-(dodecanoylhydrazinylidene)methyl]-2-methoxyphenyl] 4-propoxybenzoate (CID 6151199) is [4-[(Z)-(dodecanoylhydrazinylidene)methyl]-2-methoxyphenyl] 4-propoxybenzoate.
What is the SMILES notation for [4-[(Z)-(dodecanoylhydrazinylidene)methyl]-2-methoxyphenyl] 4-propoxybenzoate?
The canonical SMILES for [4-[(Z)-(dodecanoylhydrazinylidene)methyl]-2-methoxyphenyl] 4-propoxybenzoate is CCCCCCCCCCCC(=O)N/N=C\c1ccc(OC(=O)c2ccc(OCCC)cc2)c(OC)c1.
What is the InChIKey of [4-[(Z)-(dodecanoylhydrazinylidene)methyl]-2-methoxyphenyl] 4-propoxybenzoate?
The InChIKey is ZUKGYUXJGMQHNQ-SXBRIOAWSA-N. The full InChI is InChI=1S/C30H42N2O5/c1-4-6-7-8-9-10-11-12-13-14-29(33)32-31-23-24-15-20-27(28(22-24)35-3)37-30(34)25-16-18-26(19-17-25)36-21-5-2/h15-20,22-23H,4-14,21H2,1-3H3,(H,32,33)/b31-23-.
What are the key properties of [4-[(Z)-(dodecanoylhydrazinylidene)methyl]-2-methoxyphenyl] 4-propoxybenzoate?
[4-[(Z)-(dodecanoylhydrazinylidene)methyl]-2-methoxyphenyl] 4-propoxybenzoate has a molecular weight of 510.68 g/mol, XLogP of 7.07, 18 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-(dodecanoylhydrazinylidene)methyl]-2-methoxyphenyl] 4-propoxybenzoate is sourced from PubChem (CID 6151199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).