2-(4-ethylphenoxy)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide

C20H22N2O3 — CID 136794162

IUPAC2-(4-ethylphenoxy)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
SMILESC=CCc1cccc(/C=N\NC(=O)COc2ccc(CC)cc2)c1O
InChIInChI=1S/C20H22N2O3/c1-3-6-16-7-5-8-17(20(16)24)13-21-22-19(23)14-25-18-11-9-15(4-2)10-12-18/h3,5,7-13,24H,1,4,6,14H2,2H3,(H,22,23)/b21-13-
InChIKeyFLEZYPZGKSASDE-BKUYFWCQSA-N
MW338.41 g/mol
LogP3.21
Rot. Bonds8

About 2-(4-ethylphenoxy)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide

2-(4-ethylphenoxy)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide (PubChem CID 136794162) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
PubChem CID136794162
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name2-(4-ethylphenoxy)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
SMILESC=CCc1cccc(/C=N\NC(=O)COc2ccc(CC)cc2)c1O
InChIInChI=1S/C20H22N2O3/c1-3-6-16-7-5-8-17(20(16)24)13-21-22-19(23)14-25-18-11-9-15(4-2)10-12-18/h3,5,7-13,24H,1,4,6,14H2,2H3,(H,22,23)/b21-13-
InChIKeyFLEZYPZGKSASDE-BKUYFWCQSA-N
XLogP3.21
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethylphenoxy)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 135698892
N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
CID 136718830
2-(4-ethylphenoxy)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 136661291
N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 3557372
4-butoxy-N-[2-[(2Z)-2-[(2-hydroxy-3-prop-2-enylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 136822713
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
CID 135615022
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 5416702
N-[(2-hydroxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
CID 3684670
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 136659890
2-(dimethylsulfamoylamino)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CID 135822145
2-(4-chlorophenoxy)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]propanamide
CID 135685222
N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 9357743

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide (CID 136794162) is 2-(4-ethylphenoxy)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide is C=CCc1cccc(/C=N\NC(=O)COc2ccc(CC)cc2)c1O.
What is the InChIKey of 2-(4-ethylphenoxy)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide?
The InChIKey is FLEZYPZGKSASDE-BKUYFWCQSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-3-6-16-7-5-8-17(20(16)24)13-21-22-19(23)14-25-18-11-9-15(4-2)10-12-18/h3,5,7-13,24H,1,4,6,14H2,2H3,(H,22,23)/b21-13-.
What are the key properties of 2-(4-ethylphenoxy)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide?
2-(4-ethylphenoxy)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide has a molecular weight of 338.41 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-[(Z)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 136794162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).