[1-[(Z)-(decanoylhydrazinylidene)methyl]naphthalen-2-yl] 4-ethoxybenzoate

C30H36N2O4 — CID 6026070

IUPAC[1-[(Z)-(decanoylhydrazinylidene)methyl]naphthalen-2-yl] 4-ethoxybenzoate
SMILESCCCCCCCCCC(=O)N/N=C\c1c(OC(=O)c2ccc(OCC)cc2)ccc2ccccc12
InChIInChI=1S/C30H36N2O4/c1-3-5-6-7-8-9-10-15-29(33)32-31-22-27-26-14-12-11-13-23(26)18-21-28(27)36-30(34)24-16-19-25(20-17-24)35-4-2/h11-14,16-22H,3-10,15H2,1-2H3,(H,32,33)/b31-22-
InChIKeyZXPCNMBMAHRIOO-VAMRJTSQSA-N
MW488.63 g/mol
LogP7.05
Rot. Bonds14

About [1-[(Z)-(decanoylhydrazinylidene)methyl]naphthalen-2-yl] 4-ethoxybenzoate

[1-[(Z)-(decanoylhydrazinylidene)methyl]naphthalen-2-yl] 4-ethoxybenzoate (PubChem CID 6026070) has the molecular formula C30H36N2O4 and a molecular weight of 488.63 g/mol. Its IUPAC name is [1-[(Z)-(decanoylhydrazinylidene)methyl]naphthalen-2-yl] 4-ethoxybenzoate.

Molecular Properties

Compound Name[1-[(Z)-(decanoylhydrazinylidene)methyl]naphthalen-2-yl] 4-ethoxybenzoate
PubChem CID6026070
Molecular FormulaC30H36N2O4
Molecular Weight488.63 g/mol
Exact Mass488.27
IUPAC Name[1-[(Z)-(decanoylhydrazinylidene)methyl]naphthalen-2-yl] 4-ethoxybenzoate
SMILESCCCCCCCCCC(=O)N/N=C\c1c(OC(=O)c2ccc(OCC)cc2)ccc2ccccc12
InChIInChI=1S/C30H36N2O4/c1-3-5-6-7-8-9-10-15-29(33)32-31-22-27-26-14-12-11-13-23(26)18-21-28(27)36-30(34)24-16-19-25(20-17-24)35-4-2/h11-14,16-22H,3-10,15H2,1-2H3,(H,32,33)/b31-22-
InChIKeyZXPCNMBMAHRIOO-VAMRJTSQSA-N
XLogP7.05
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.63
LogP ≤ 57.05
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'}

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Related Compounds

[1-[(Z)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-ethoxybenzoate
CID 6156832
[1-[(octadecanoylhydrazinylidene)methyl]naphthalen-2-yl] 4-chlorobenzoate
CID 4990198
[1-[[(2-phenylacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-ethoxybenzoate
CID 3794929
[1-[[(2-phenoxyacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-ethoxybenzoate
CID 4171408
[1-[(Z)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-methoxybenzoate
CID 6183677
[1-[[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate
CID 4077342
[1-[(Z)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] benzoate
CID 98298390
[1-[(Z)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-ethoxybenzoate
CID 6246586
[1-[[[2-(3,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-ethoxybenzoate
CID 3408916
[1-[(Z)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-ethoxybenzoate
CID 6270757
[1-[[[2-[(4-ethoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
CID 3861731
[1-[[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-ethoxybenzoate
CID 3827588

Frequently Asked Questions

What is the IUPAC name of [1-[(Z)-(decanoylhydrazinylidene)methyl]naphthalen-2-yl] 4-ethoxybenzoate?
The IUPAC name of [1-[(Z)-(decanoylhydrazinylidene)methyl]naphthalen-2-yl] 4-ethoxybenzoate (CID 6026070) is [1-[(Z)-(decanoylhydrazinylidene)methyl]naphthalen-2-yl] 4-ethoxybenzoate.
What is the SMILES notation for [1-[(Z)-(decanoylhydrazinylidene)methyl]naphthalen-2-yl] 4-ethoxybenzoate?
The canonical SMILES for [1-[(Z)-(decanoylhydrazinylidene)methyl]naphthalen-2-yl] 4-ethoxybenzoate is CCCCCCCCCC(=O)N/N=C\c1c(OC(=O)c2ccc(OCC)cc2)ccc2ccccc12.
What is the InChIKey of [1-[(Z)-(decanoylhydrazinylidene)methyl]naphthalen-2-yl] 4-ethoxybenzoate?
The InChIKey is ZXPCNMBMAHRIOO-VAMRJTSQSA-N. The full InChI is InChI=1S/C30H36N2O4/c1-3-5-6-7-8-9-10-15-29(33)32-31-22-27-26-14-12-11-13-23(26)18-21-28(27)36-30(34)24-16-19-25(20-17-24)35-4-2/h11-14,16-22H,3-10,15H2,1-2H3,(H,32,33)/b31-22-.
What are the key properties of [1-[(Z)-(decanoylhydrazinylidene)methyl]naphthalen-2-yl] 4-ethoxybenzoate?
[1-[(Z)-(decanoylhydrazinylidene)methyl]naphthalen-2-yl] 4-ethoxybenzoate has a molecular weight of 488.63 g/mol, XLogP of 7.05, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(Z)-(decanoylhydrazinylidene)methyl]naphthalen-2-yl] 4-ethoxybenzoate is sourced from PubChem (CID 6026070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).