2-(2-methoxyphenoxy)-N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]acetamide

C21H25N3O4 — CID 126109238

IUPAC2-(2-methoxyphenoxy)-N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]acetamide
SMILESCOc1ccccc1OCC(=O)N/N=C/c1ccc(N2CCOCC2)cc1C
InChIInChI=1S/C21H25N3O4/c1-16-13-18(24-9-11-27-12-10-24)8-7-17(16)14-22-23-21(25)15-28-20-6-4-3-5-19(20)26-2/h3-8,13-14H,9-12,15H2,1-2H3,(H,23,25)/b22-14+
InChIKeyBRHQCNHOMJYEEY-HYARGMPZSA-N
MW383.45 g/mol
LogP2.37
Rot. Bonds7

About 2-(2-methoxyphenoxy)-N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]acetamide

2-(2-methoxyphenoxy)-N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]acetamide (PubChem CID 126109238) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]acetamide
PubChem CID126109238
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name2-(2-methoxyphenoxy)-N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]acetamide
SMILESCOc1ccccc1OCC(=O)N/N=C/c1ccc(N2CCOCC2)cc1C
InChIInChI=1S/C21H25N3O4/c1-16-13-18(24-9-11-27-12-10-24)8-7-17(16)14-22-23-21(25)15-28-20-6-4-3-5-19(20)26-2/h3-8,13-14H,9-12,15H2,1-2H3,(H,23,25)/b22-14+
InChIKeyBRHQCNHOMJYEEY-HYARGMPZSA-N
XLogP2.37
TPSA72.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.37
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

2-(2-chlorophenoxy)-N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]acetamide
CID 126074360
2-(2-methoxyphenoxy)-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide
CID 7965556
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 5414113
4-iodo-3-methoxy-N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 126088890
N-[(Z)-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 92850815
2-hydroxy-N-[(Z)-(2-methoxy-4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 6056382
N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 831096
N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 126072075
2-(2-methylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 5456697
N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 5124745
N-[(Z)-[1-(2,6-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 92850817
2-(3-methylphenoxy)-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide
CID 6908162

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]acetamide (CID 126109238) is 2-(2-methoxyphenoxy)-N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]acetamide is COc1ccccc1OCC(=O)N/N=C/c1ccc(N2CCOCC2)cc1C.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]acetamide?
The InChIKey is BRHQCNHOMJYEEY-HYARGMPZSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-16-13-18(24-9-11-27-12-10-24)8-7-17(16)14-22-23-21(25)15-28-20-6-4-3-5-19(20)26-2/h3-8,13-14H,9-12,15H2,1-2H3,(H,23,25)/b22-14+.
What are the key properties of 2-(2-methoxyphenoxy)-N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]acetamide?
2-(2-methoxyphenoxy)-N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]acetamide has a molecular weight of 383.45 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-[(E)-(2-methyl-4-morpholin-4-ylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 126109238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).