[2,6-dimethoxy-4-[(Z)-[[2-(2-methoxyanilino)acetyl]hydrazinylidene]methyl]phenyl] acetate

C20H23N3O6 — CID 7933428

IUPAC[2,6-dimethoxy-4-[(Z)-[[2-(2-methoxyanilino)acetyl]hydrazinylidene]methyl]phenyl] acetate
SMILESCOc1ccccc1NCC(=O)N/N=C\c1cc(OC)c(OC(C)=O)c(OC)c1
InChIInChI=1S/C20H23N3O6/c1-13(24)29-20-17(27-3)9-14(10-18(20)28-4)11-22-23-19(25)12-21-15-7-5-6-8-16(15)26-2/h5-11,21H,12H2,1-4H3,(H,23,25)/b22-11-
InChIKeyFDYLEPZHHHLWBO-JJFYIABZSA-N
MW401.42 g/mol
LogP2.20
Rot. Bonds9

About [2,6-dimethoxy-4-[(Z)-[[2-(2-methoxyanilino)acetyl]hydrazinylidene]methyl]phenyl] acetate

[2,6-dimethoxy-4-[(Z)-[[2-(2-methoxyanilino)acetyl]hydrazinylidene]methyl]phenyl] acetate (PubChem CID 7933428) has the molecular formula C20H23N3O6 and a molecular weight of 401.42 g/mol. Its IUPAC name is [2,6-dimethoxy-4-[(Z)-[[2-(2-methoxyanilino)acetyl]hydrazinylidene]methyl]phenyl] acetate.

Molecular Properties

Compound Name[2,6-dimethoxy-4-[(Z)-[[2-(2-methoxyanilino)acetyl]hydrazinylidene]methyl]phenyl] acetate
PubChem CID7933428
Molecular FormulaC20H23N3O6
Molecular Weight401.42 g/mol
Exact Mass401.16
IUPAC Name[2,6-dimethoxy-4-[(Z)-[[2-(2-methoxyanilino)acetyl]hydrazinylidene]methyl]phenyl] acetate
SMILESCOc1ccccc1NCC(=O)N/N=C\c1cc(OC)c(OC(C)=O)c(OC)c1
InChIInChI=1S/C20H23N3O6/c1-13(24)29-20-17(27-3)9-14(10-18(20)28-4)11-22-23-19(25)12-21-15-7-5-6-8-16(15)26-2/h5-11,21H,12H2,1-4H3,(H,23,25)/b22-11-
InChIKeyFDYLEPZHHHLWBO-JJFYIABZSA-N
XLogP2.20
TPSA107.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 52.20
H-Bond Donors ≤ 52
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

N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 171985531
2-(2-methoxyanilino)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
CID 6910807
N-[(3-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 3675951
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 8974942
2-(2-methoxyanilino)-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]acetamide
CID 6910859
2-(2-methoxyanilino)-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 6910847
[2,6-dimethoxy-4-[(Z)-[(2-methylphenyl)hydrazinylidene]methyl]phenyl] acetate
CID 9014792
[2,6-dimethoxy-4-[(E)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] acetate
CID 24561033
2-(2-methoxyanilino)-N-(pyridin-3-ylmethylideneamino)acetamide
CID 717684
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 5401700
[2,6-dimethoxy-4-[(E)-[(4-phenylbenzoyl)hydrazinylidene]methyl]phenyl] acetate
CID 39818764
N-[(4-ethoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 759194

Frequently Asked Questions

What is the IUPAC name of [2,6-dimethoxy-4-[(Z)-[[2-(2-methoxyanilino)acetyl]hydrazinylidene]methyl]phenyl] acetate?
The IUPAC name of [2,6-dimethoxy-4-[(Z)-[[2-(2-methoxyanilino)acetyl]hydrazinylidene]methyl]phenyl] acetate (CID 7933428) is [2,6-dimethoxy-4-[(Z)-[[2-(2-methoxyanilino)acetyl]hydrazinylidene]methyl]phenyl] acetate.
What is the SMILES notation for [2,6-dimethoxy-4-[(Z)-[[2-(2-methoxyanilino)acetyl]hydrazinylidene]methyl]phenyl] acetate?
The canonical SMILES for [2,6-dimethoxy-4-[(Z)-[[2-(2-methoxyanilino)acetyl]hydrazinylidene]methyl]phenyl] acetate is COc1ccccc1NCC(=O)N/N=C\c1cc(OC)c(OC(C)=O)c(OC)c1.
What is the InChIKey of [2,6-dimethoxy-4-[(Z)-[[2-(2-methoxyanilino)acetyl]hydrazinylidene]methyl]phenyl] acetate?
The InChIKey is FDYLEPZHHHLWBO-JJFYIABZSA-N. The full InChI is InChI=1S/C20H23N3O6/c1-13(24)29-20-17(27-3)9-14(10-18(20)28-4)11-22-23-19(25)12-21-15-7-5-6-8-16(15)26-2/h5-11,21H,12H2,1-4H3,(H,23,25)/b22-11-.
What are the key properties of [2,6-dimethoxy-4-[(Z)-[[2-(2-methoxyanilino)acetyl]hydrazinylidene]methyl]phenyl] acetate?
[2,6-dimethoxy-4-[(Z)-[[2-(2-methoxyanilino)acetyl]hydrazinylidene]methyl]phenyl] acetate has a molecular weight of 401.42 g/mol, XLogP of 2.20, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-dimethoxy-4-[(Z)-[[2-(2-methoxyanilino)acetyl]hydrazinylidene]methyl]phenyl] acetate is sourced from PubChem (CID 7933428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).