2-[2-ethoxy-4-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetic acid

C19H22N2O5 — CID 17245995

IUPAC2-[2-ethoxy-4-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetic acid
SMILESCCOc1cc(/C=N/NCc2ccccc2OC)ccc1OCC(=O)O
InChIInChI=1S/C19H22N2O5/c1-3-25-18-10-14(8-9-17(18)26-13-19(22)23)11-20-21-12-15-6-4-5-7-16(15)24-2/h4-11,21H,3,12-13H2,1-2H3,(H,22,23)/b20-11+
InChIKeyHCBCNSXKKYCXKF-RGVLZGJSSA-N
MW358.39 g/mol
LogP2.68
Rot. Bonds10

About 2-[2-ethoxy-4-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetic acid

2-[2-ethoxy-4-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetic acid (PubChem CID 17245995) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is 2-[2-ethoxy-4-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-ethoxy-4-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetic acid
PubChem CID17245995
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name2-[2-ethoxy-4-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetic acid
SMILESCCOc1cc(/C=N/NCc2ccccc2OC)ccc1OCC(=O)O
InChIInChI=1S/C19H22N2O5/c1-3-25-18-10-14(8-9-17(18)26-13-19(22)23)11-20-21-12-15-6-4-5-7-16(15)24-2/h4-11,21H,3,12-13H2,1-2H3,(H,22,23)/b20-11+
InChIKeyHCBCNSXKKYCXKF-RGVLZGJSSA-N
XLogP2.68
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29147564
2-[2-ethoxy-6-iodo-4-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetic acid
CID 29148441
2-[3-[(Z)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetic acid
CID 29148193
N-[(E)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17246005
2-[4-[(E)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]-2-methoxyphenoxy]acetic acid
CID 133169157
2-[5-[(E)-[[2-(2-ethoxyphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetamide
CID 42998044
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245582
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29147432
N-[(E)-(4-ethoxy-3-iodo-5-methoxyphenyl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245629
2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3959802
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 19189977
N-[[3-ethoxy-4-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]acetamide
CID 3612099

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-ethoxy-4-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetic acid (CID 17245995) is 2-[2-ethoxy-4-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-ethoxy-4-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-ethoxy-4-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetic acid is CCOc1cc(/C=N/NCc2ccccc2OC)ccc1OCC(=O)O.
What is the InChIKey of 2-[2-ethoxy-4-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetic acid?
The InChIKey is HCBCNSXKKYCXKF-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-3-25-18-10-14(8-9-17(18)26-13-19(22)23)11-20-21-12-15-6-4-5-7-16(15)24-2/h4-11,21H,3,12-13H2,1-2H3,(H,22,23)/b20-11+.
What are the key properties of 2-[2-ethoxy-4-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetic acid?
2-[2-ethoxy-4-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetic acid has a molecular weight of 358.39 g/mol, XLogP of 2.68, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-[(E)-[(2-methoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetic acid is sourced from PubChem (CID 17245995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).