[2-ethoxy-4-[[2-(2-nitrophenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-methoxybenzoate

C26H25N3O8 — CID 3446662

IUPAC[2-ethoxy-4-[[2-(2-nitrophenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-methoxybenzoate
SMILESCCOc1cc(C=NNC(=O)C(C)Oc2ccccc2[N+](=O)[O-])ccc1OC(=O)c1ccc(OC)cc1
InChIInChI=1S/C26H25N3O8/c1-4-35-24-15-18(9-14-23(24)37-26(31)19-10-12-20(34-3)13-11-19)16-27-28-25(30)17(2)36-22-8-6-5-7-21(22)29(32)33/h5-17H,4H2,1-3H3,(H,28,30)
InChIKeyDCGZPIROQFZYED-UHFFFAOYSA-N
MW507.50 g/mol
LogP4.14
Rot. Bonds11

About [2-ethoxy-4-[[2-(2-nitrophenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-methoxybenzoate

[2-ethoxy-4-[[2-(2-nitrophenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-methoxybenzoate (PubChem CID 3446662) has the molecular formula C26H25N3O8 and a molecular weight of 507.50 g/mol. Its IUPAC name is [2-ethoxy-4-[[2-(2-nitrophenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-methoxybenzoate.

Molecular Properties

Compound Name[2-ethoxy-4-[[2-(2-nitrophenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-methoxybenzoate
PubChem CID3446662
Molecular FormulaC26H25N3O8
Molecular Weight507.50 g/mol
Exact Mass507.16
IUPAC Name[2-ethoxy-4-[[2-(2-nitrophenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-methoxybenzoate
SMILESCCOc1cc(C=NNC(=O)C(C)Oc2ccccc2[N+](=O)[O-])ccc1OC(=O)c1ccc(OC)cc1
InChIInChI=1S/C26H25N3O8/c1-4-35-24-15-18(9-14-23(24)37-26(31)19-10-12-20(34-3)13-11-19)16-27-28-25(30)17(2)36-22-8-6-5-7-21(22)29(32)33/h5-17H,4H2,1-3H3,(H,28,30)
InChIKeyDCGZPIROQFZYED-UHFFFAOYSA-N
XLogP4.14
TPSA138.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.50
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [2-ethoxy-4-[[2-(2-nitrophenoxy)propanoylhydrazinylidene]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

[2-ethoxy-4-[[2-(2-nitrophenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
CID 4547099
(2R)-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2-nitrophenoxy)propanamide
CID 136766871
[4-bromo-2-[[2-(2-nitrophenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 3810170
[4-[(benzoylhydrazinylidene)methyl]-2-ethoxyphenyl] 4-methoxybenzoate
CID 4187043
[2-ethoxy-4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
CID 5044572
[3-(4-chlorobenzoyl)oxy-4-[(Z)-[[(2S)-2-(2-nitrophenoxy)propanoyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 99694848
[4-[(Z)-(benzoylhydrazinylidene)methyl]-2-nitrophenyl] 4-methoxybenzoate
CID 6261751
[4-[[(4-chlorobenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 4-methoxybenzoate
CID 3763073
[2-ethoxy-4-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
CID 6073325
N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-(2-nitrophenoxy)propanamide
CID 5061893
[4-[[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] benzoate
CID 4255849
[4-[[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 4-ethoxybenzoate
CID 3777566

Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-4-[[2-(2-nitrophenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-methoxybenzoate?
The IUPAC name of [2-ethoxy-4-[[2-(2-nitrophenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-methoxybenzoate (CID 3446662) is [2-ethoxy-4-[[2-(2-nitrophenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-methoxybenzoate.
What is the SMILES notation for [2-ethoxy-4-[[2-(2-nitrophenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-methoxybenzoate?
The canonical SMILES for [2-ethoxy-4-[[2-(2-nitrophenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-methoxybenzoate is CCOc1cc(C=NNC(=O)C(C)Oc2ccccc2[N+](=O)[O-])ccc1OC(=O)c1ccc(OC)cc1.
What is the InChIKey of [2-ethoxy-4-[[2-(2-nitrophenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-methoxybenzoate?
The InChIKey is DCGZPIROQFZYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O8/c1-4-35-24-15-18(9-14-23(24)37-26(31)19-10-12-20(34-3)13-11-19)16-27-28-25(30)17(2)36-22-8-6-5-7-21(22)29(32)33/h5-17H,4H2,1-3H3,(H,28,30).
What are the key properties of [2-ethoxy-4-[[2-(2-nitrophenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-methoxybenzoate?
[2-ethoxy-4-[[2-(2-nitrophenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-methoxybenzoate has a molecular weight of 507.50 g/mol, XLogP of 4.14, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-4-[[2-(2-nitrophenoxy)propanoylhydrazinylidene]methyl]phenyl] 4-methoxybenzoate is sourced from PubChem (CID 3446662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).