N-[(E)-(2-ethoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide

C20H22N2O3 — CID 6876587

IUPACN-[(E)-(2-ethoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccccc1OCC(=O)N/N=C/c1ccccc1OCC
InChIInChI=1S/C20H22N2O3/c1-3-9-16-10-5-7-12-18(16)25-15-20(23)22-21-14-17-11-6-8-13-19(17)24-4-2/h3,5-8,10-14H,1,4,9,15H2,2H3,(H,22,23)/b21-14+
InChIKeyYBICWEYHFIQRRT-KGENOOAVSA-N
MW338.41 g/mol
LogP3.34
Rot. Bonds9

About N-[(E)-(2-ethoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide

N-[(E)-(2-ethoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide (PubChem CID 6876587) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[(E)-(2-ethoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-(2-ethoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide
PubChem CID6876587
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[(E)-(2-ethoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccccc1OCC(=O)N/N=C/c1ccccc1OCC
InChIInChI=1S/C20H22N2O3/c1-3-9-16-10-5-7-12-18(16)25-15-20(23)22-21-14-17-11-6-8-13-19(17)24-4-2/h3,5-8,10-14H,1,4,9,15H2,2H3,(H,22,23)/b21-14+
InChIKeyYBICWEYHFIQRRT-KGENOOAVSA-N
XLogP3.34
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-ethoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide?
The IUPAC name of N-[(E)-(2-ethoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide (CID 6876587) is N-[(E)-(2-ethoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-(2-ethoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide?
The canonical SMILES for N-[(E)-(2-ethoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide is C=CCc1ccccc1OCC(=O)N/N=C/c1ccccc1OCC.
What is the InChIKey of N-[(E)-(2-ethoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide?
The InChIKey is YBICWEYHFIQRRT-KGENOOAVSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-3-9-16-10-5-7-12-18(16)25-15-20(23)22-21-14-17-11-6-8-13-19(17)24-4-2/h3,5-8,10-14H,1,4,9,15H2,2H3,(H,22,23)/b21-14+.
What are the key properties of N-[(E)-(2-ethoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide?
N-[(E)-(2-ethoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide has a molecular weight of 338.41 g/mol, XLogP of 3.34, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-ethoxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide is sourced from PubChem (CID 6876587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).