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

C28H38N2O5 — CID 6000217

IUPAC[4-[(Z)-(dodecanoylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate
SMILESCCCCCCCCCCCC(=O)N/N=C\c1ccc(OC(=O)c2ccc(OC)cc2)c(OC)c1
InChIInChI=1S/C28H38N2O5/c1-4-5-6-7-8-9-10-11-12-13-27(31)30-29-21-22-14-19-25(26(20-22)34-3)35-28(32)23-15-17-24(33-2)18-16-23/h14-21H,4-13H2,1-3H3,(H,30,31)/b29-21-
InChIKeyXIZBXKAKRHDBMW-ANYBSYGZSA-N
MW482.62 g/mol
LogP6.29
Rot. Bonds16

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

[4-[(Z)-(dodecanoylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate (PubChem CID 6000217) has the molecular formula C28H38N2O5 and a molecular weight of 482.62 g/mol. Its IUPAC name is [4-[(Z)-(dodecanoylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate.

Molecular Properties

Compound Name[4-[(Z)-(dodecanoylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate
PubChem CID6000217
Molecular FormulaC28H38N2O5
Molecular Weight482.62 g/mol
Exact Mass482.28
IUPAC Name[4-[(Z)-(dodecanoylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate
SMILESCCCCCCCCCCCC(=O)N/N=C\c1ccc(OC(=O)c2ccc(OC)cc2)c(OC)c1
InChIInChI=1S/C28H38N2O5/c1-4-5-6-7-8-9-10-11-12-13-27(31)30-29-21-22-14-19-25(26(20-22)34-3)35-28(32)23-15-17-24(33-2)18-16-23/h14-21H,4-13H2,1-3H3,(H,30,31)/b29-21-
InChIKeyXIZBXKAKRHDBMW-ANYBSYGZSA-N
XLogP6.29
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.62
LogP ≤ 56.29
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)-[[2-(dodecanoylamino)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 6020193
[2-methoxy-4-[(tetradecanoylhydrazinylidene)methyl]phenyl] 4-propoxybenzoate
CID 5020419
[4-[(Z)-(dodecanoylhydrazinylidene)methyl]-2-methoxyphenyl] 4-propoxybenzoate
CID 6151199
[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-[(dodecanoylhydrazinylidene)methyl]-2-methoxyphenyl] 3,4-dichlorobenzoate
CID 5048016
[4-[(Z)-[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-ethoxybenzoate
CID 6091927
[4-[[[6-[2-[[4-(4-bromobenzoyl)oxy-3-methoxyphenyl]methylidene]hydrazinyl]-6-oxohexanoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-bromobenzoate
CID 4631337
[3-[(hexadecanoylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate
CID 3792883
[4-[(Z)-[[2-(4-ethylphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-butoxybenzoate
CID 6261178
N-[(4-methoxyphenyl)methylideneamino]nonanamide
CID 4175341
[4-[[[4-[2-[[4-(4-chlorobenzoyl)oxy-3-methoxyphenyl]methylidene]hydrazinyl]-4-oxobutanoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-chlorobenzoate
CID 4110059

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-(dodecanoylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate?
The IUPAC name of [4-[(Z)-(dodecanoylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate (CID 6000217) is [4-[(Z)-(dodecanoylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate.
What is the SMILES notation for [4-[(Z)-(dodecanoylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate?
The canonical SMILES for [4-[(Z)-(dodecanoylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate is CCCCCCCCCCCC(=O)N/N=C\c1ccc(OC(=O)c2ccc(OC)cc2)c(OC)c1.
What is the InChIKey of [4-[(Z)-(dodecanoylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate?
The InChIKey is XIZBXKAKRHDBMW-ANYBSYGZSA-N. The full InChI is InChI=1S/C28H38N2O5/c1-4-5-6-7-8-9-10-11-12-13-27(31)30-29-21-22-14-19-25(26(20-22)34-3)35-28(32)23-15-17-24(33-2)18-16-23/h14-21H,4-13H2,1-3H3,(H,30,31)/b29-21-.
What are the key properties of [4-[(Z)-(dodecanoylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate?
[4-[(Z)-(dodecanoylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methoxybenzoate has a molecular weight of 482.62 g/mol, XLogP of 6.29, 16 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-methoxybenzoate is sourced from PubChem (CID 6000217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).