ethyl 2-[4-[(E)-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetate

C20H22N2O5 — CID 21370822

IUPACethyl 2-[4-[(E)-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(/C=N/NC(=O)Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H22N2O5/c1-3-26-20(24)14-27-18-10-6-16(7-11-18)13-21-22-19(23)12-15-4-8-17(25-2)9-5-15/h4-11,13H,3,12,14H2,1-2H3,(H,22,23)/b21-13+
InChIKeyIKLWDPPDVIVMHZ-FYJGNVAPSA-N
MW370.41 g/mol
LogP2.33
Rot. Bonds9

About ethyl 2-[4-[(E)-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetate

ethyl 2-[4-[(E)-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetate (PubChem CID 21370822) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is ethyl 2-[4-[(E)-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[(E)-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetate
PubChem CID21370822
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Nameethyl 2-[4-[(E)-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(/C=N/NC(=O)Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H22N2O5/c1-3-26-20(24)14-27-18-10-6-16(7-11-18)13-21-22-19(23)12-15-4-8-17(25-2)9-5-15/h4-11,13H,3,12,14H2,1-2H3,(H,22,23)/b21-13+
InChIKeyIKLWDPPDVIVMHZ-FYJGNVAPSA-N
XLogP2.33
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
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)-(4-ethoxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide
CID 5420756
N-[(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 968721
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
CID 6386184
N-[[4-(diethylamino)phenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 968719
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 5428293
2-(4-methoxyphenyl)-N-[(E)-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]acetamide
CID 126227474
2-(4-methoxyphenoxy)-N-[(Z)-(4-propoxyphenyl)methylideneamino]acetamide
CID 9315962
ethyl 2-[2-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 3510174
N-[(E)-(4-fluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6893389
N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide
CID 44726282
methyl 4-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 2303785
ethyl 2-[4-[(E)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]phenoxy]acetate
CID 133171031

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(E)-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetate?
The IUPAC name of ethyl 2-[4-[(E)-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetate (CID 21370822) is ethyl 2-[4-[(E)-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-[(E)-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-[(E)-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetate is CCOC(=O)COc1ccc(/C=N/NC(=O)Cc2ccc(OC)cc2)cc1.
What is the InChIKey of ethyl 2-[4-[(E)-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetate?
The InChIKey is IKLWDPPDVIVMHZ-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-3-26-20(24)14-27-18-10-6-16(7-11-18)13-21-22-19(23)12-15-4-8-17(25-2)9-5-15/h4-11,13H,3,12,14H2,1-2H3,(H,22,23)/b21-13+.
What are the key properties of ethyl 2-[4-[(E)-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetate?
ethyl 2-[4-[(E)-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetate has a molecular weight of 370.41 g/mol, XLogP of 2.33, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(E)-[[2-(4-methoxyphenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetate is sourced from PubChem (CID 21370822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).