2-[5-[(E)-[[2-(2-ethoxyphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetamide

C20H23N3O6 — CID 42998044

IUPAC2-[5-[(E)-[[2-(2-ethoxyphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetamide
SMILESCCOc1ccccc1OCC(=O)N/N=C/c1ccc(OC)c(OCC(N)=O)c1
InChIInChI=1S/C20H23N3O6/c1-3-27-16-6-4-5-7-17(16)29-13-20(25)23-22-11-14-8-9-15(26-2)18(10-14)28-12-19(21)24/h4-11H,3,12-13H2,1-2H3,(H2,21,24)(H,23,25)/b22-11+
InChIKeyUPCAKPCXCXPDDZ-SSDVNMTOSA-N
MW401.42 g/mol
LogP1.49
Rot. Bonds11

About 2-[5-[(E)-[[2-(2-ethoxyphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetamide

2-[5-[(E)-[[2-(2-ethoxyphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetamide (PubChem CID 42998044) has the molecular formula C20H23N3O6 and a molecular weight of 401.42 g/mol. Its IUPAC name is 2-[5-[(E)-[[2-(2-ethoxyphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[5-[(E)-[[2-(2-ethoxyphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetamide
PubChem CID42998044
Molecular FormulaC20H23N3O6
Molecular Weight401.42 g/mol
Exact Mass401.16
IUPAC Name2-[5-[(E)-[[2-(2-ethoxyphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetamide
SMILESCCOc1ccccc1OCC(=O)N/N=C/c1ccc(OC)c(OCC(N)=O)c1
InChIInChI=1S/C20H23N3O6/c1-3-27-16-6-4-5-7-17(16)29-13-20(25)23-22-11-14-8-9-15(26-2)18(10-14)28-12-19(21)24/h4-11H,3,12-13H2,1-2H3,(H2,21,24)(H,23,25)/b22-11+
InChIKeyUPCAKPCXCXPDDZ-SSDVNMTOSA-N
XLogP1.49
TPSA121.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-[(E)-(3,4-diethoxyphenyl)methylideneamino]acetamide
CID 19655720
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 19189977
2-(2-bromophenoxy)-N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 19189983
2-[2-chloro-4-[[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetamide
CID 5133040
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 19165701
2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3959802
2-(2,4-dimethylphenoxy)-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]acetamide
CID 17018810
N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 6004946
2-(2-ethoxyphenoxy)-N-[(3-methoxyphenyl)methylideneamino]acetamide
CID 2425831
N-[[4-(2-anilino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 3517800
[2-methoxy-4-[(E)-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
CID 45055235
2-(4-bromo-2-ethylphenoxy)-N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 19208361

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(E)-[[2-(2-ethoxyphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetamide?
The IUPAC name of 2-[5-[(E)-[[2-(2-ethoxyphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetamide (CID 42998044) is 2-[5-[(E)-[[2-(2-ethoxyphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[5-[(E)-[[2-(2-ethoxyphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[5-[(E)-[[2-(2-ethoxyphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetamide is CCOc1ccccc1OCC(=O)N/N=C/c1ccc(OC)c(OCC(N)=O)c1.
What is the InChIKey of 2-[5-[(E)-[[2-(2-ethoxyphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetamide?
The InChIKey is UPCAKPCXCXPDDZ-SSDVNMTOSA-N. The full InChI is InChI=1S/C20H23N3O6/c1-3-27-16-6-4-5-7-17(16)29-13-20(25)23-22-11-14-8-9-15(26-2)18(10-14)28-12-19(21)24/h4-11H,3,12-13H2,1-2H3,(H2,21,24)(H,23,25)/b22-11+.
What are the key properties of 2-[5-[(E)-[[2-(2-ethoxyphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetamide?
2-[5-[(E)-[[2-(2-ethoxyphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetamide has a molecular weight of 401.42 g/mol, XLogP of 1.49, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(E)-[[2-(2-ethoxyphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetamide is sourced from PubChem (CID 42998044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).