[4-[(ethoxycarbonylhydrazinylidene)methyl]-2-methoxyphenyl] 3,5-dimethoxybenzoate

C20H22N2O7 — CID 4562133

IUPAC[4-[(ethoxycarbonylhydrazinylidene)methyl]-2-methoxyphenyl] 3,5-dimethoxybenzoate
SMILESCCOC(=O)NN=Cc1ccc(OC(=O)c2cc(OC)cc(OC)c2)c(OC)c1
InChIInChI=1S/C20H22N2O7/c1-5-28-20(24)22-21-12-13-6-7-17(18(8-13)27-4)29-19(23)14-9-15(25-2)11-16(10-14)26-3/h6-12H,5H2,1-4H3,(H,22,24)
InChIKeyNDMDHRZEJVBXGJ-UHFFFAOYSA-N
MW402.40 g/mol
LogP3.01
Rot. Bonds8

About [4-[(ethoxycarbonylhydrazinylidene)methyl]-2-methoxyphenyl] 3,5-dimethoxybenzoate

[4-[(ethoxycarbonylhydrazinylidene)methyl]-2-methoxyphenyl] 3,5-dimethoxybenzoate (PubChem CID 4562133) has the molecular formula C20H22N2O7 and a molecular weight of 402.40 g/mol. Its IUPAC name is [4-[(ethoxycarbonylhydrazinylidene)methyl]-2-methoxyphenyl] 3,5-dimethoxybenzoate.

Molecular Properties

Compound Name[4-[(ethoxycarbonylhydrazinylidene)methyl]-2-methoxyphenyl] 3,5-dimethoxybenzoate
PubChem CID4562133
Molecular FormulaC20H22N2O7
Molecular Weight402.40 g/mol
Exact Mass402.14
IUPAC Name[4-[(ethoxycarbonylhydrazinylidene)methyl]-2-methoxyphenyl] 3,5-dimethoxybenzoate
SMILESCCOC(=O)NN=Cc1ccc(OC(=O)c2cc(OC)cc(OC)c2)c(OC)c1
InChIInChI=1S/C20H22N2O7/c1-5-28-20(24)22-21-12-13-6-7-17(18(8-13)27-4)29-19(23)14-9-15(25-2)11-16(10-14)26-3/h6-12H,5H2,1-4H3,(H,22,24)
InChIKeyNDMDHRZEJVBXGJ-UHFFFAOYSA-N
XLogP3.01
TPSA104.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'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-[(ethylcarbamothioylhydrazinylidene)methyl]-2-methoxyphenyl] 3,5-dimethoxybenzoate
CID 3968438
[4-[(ethoxycarbonylhydrazinylidene)methyl]-2-methoxyphenyl] 2-methoxybenzoate
CID 3932542
ethyl N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]carbamate
CID 2590100
[4-[(E)-(ethoxycarbonylhydrazinylidene)methyl]-2-methoxyphenyl] thiophene-2-carboxylate
CID 6910086
[4-[(ethoxycarbonylhydrazinylidene)methyl]phenyl] 3,4,5-trimethoxybenzoate
CID 3497744
ethyl N-[(3,5-dimethoxyphenyl)methylideneamino]carbamate
CID 2643044
[2-methoxy-4-[(oxolan-2-ylmethylcarbamothioylhydrazinylidene)methyl]phenyl] 3,5-dimethoxybenzoate
CID 3888767
ethyl N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]carbamate
CID 6902439
[2-methoxy-4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 1002031
[2-methoxy-4-[[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 4248850
[4-[(Z)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 6114254
[4-[[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 4-ethoxybenzoate
CID 3777566

Frequently Asked Questions

What is the IUPAC name of [4-[(ethoxycarbonylhydrazinylidene)methyl]-2-methoxyphenyl] 3,5-dimethoxybenzoate?
The IUPAC name of [4-[(ethoxycarbonylhydrazinylidene)methyl]-2-methoxyphenyl] 3,5-dimethoxybenzoate (CID 4562133) is [4-[(ethoxycarbonylhydrazinylidene)methyl]-2-methoxyphenyl] 3,5-dimethoxybenzoate.
What is the SMILES notation for [4-[(ethoxycarbonylhydrazinylidene)methyl]-2-methoxyphenyl] 3,5-dimethoxybenzoate?
The canonical SMILES for [4-[(ethoxycarbonylhydrazinylidene)methyl]-2-methoxyphenyl] 3,5-dimethoxybenzoate is CCOC(=O)NN=Cc1ccc(OC(=O)c2cc(OC)cc(OC)c2)c(OC)c1.
What is the InChIKey of [4-[(ethoxycarbonylhydrazinylidene)methyl]-2-methoxyphenyl] 3,5-dimethoxybenzoate?
The InChIKey is NDMDHRZEJVBXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O7/c1-5-28-20(24)22-21-12-13-6-7-17(18(8-13)27-4)29-19(23)14-9-15(25-2)11-16(10-14)26-3/h6-12H,5H2,1-4H3,(H,22,24).
What are the key properties of [4-[(ethoxycarbonylhydrazinylidene)methyl]-2-methoxyphenyl] 3,5-dimethoxybenzoate?
[4-[(ethoxycarbonylhydrazinylidene)methyl]-2-methoxyphenyl] 3,5-dimethoxybenzoate has a molecular weight of 402.40 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(ethoxycarbonylhydrazinylidene)methyl]-2-methoxyphenyl] 3,5-dimethoxybenzoate is sourced from PubChem (CID 4562133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).