N-[(4-ethoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide

C20H24N2O3 — CID 922539

IUPACN-[(4-ethoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
SMILESCCOc1ccc(C=NNC(=O)COc2ccccc2C(C)C)cc1
InChIInChI=1S/C20H24N2O3/c1-4-24-17-11-9-16(10-12-17)13-21-22-20(23)14-25-19-8-6-5-7-18(19)15(2)3/h5-13,15H,4,14H2,1-3H3,(H,22,23)
InChIKeyZAPZWIYKHVKAFI-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.74
Rot. Bonds8

About N-[(4-ethoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide

N-[(4-ethoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide (PubChem CID 922539) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
PubChem CID922539
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[(4-ethoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
SMILESCCOc1ccc(C=NNC(=O)COc2ccccc2C(C)C)cc1
InChIInChI=1S/C20H24N2O3/c1-4-24-17-11-9-16(10-12-17)13-21-22-20(23)14-25-19-8-6-5-7-18(19)15(2)3/h5-13,15H,4,14H2,1-3H3,(H,22,23)
InChIKeyZAPZWIYKHVKAFI-UHFFFAOYSA-N
XLogP3.74
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(4-chlorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 922562
N-(naphthalen-2-ylmethylideneamino)-2-(2-propan-2-ylphenoxy)acetamide
CID 922560
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 135603999
N-[(E)-(4-ethoxyphenyl)methylideneamino]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19189761
N-(benzylideneamino)-2-(2-ethoxyphenoxy)acetamide
CID 724075
N-[(E)-(4-ethoxyphenyl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 5410676
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 5410677
2-(2-ethoxyphenoxy)-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide
CID 7334062
2-ethoxy-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide
CID 17141081
(E)-3-(4-ethoxyphenyl)-N'-[2-(2-propan-2-ylphenoxy)acetyl]prop-2-enehydrazide
CID 17227225
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6142910
N-[(E)-(4-cyanophenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 42991602

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[(4-ethoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide (CID 922539) is N-[(4-ethoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide is CCOc1ccc(C=NNC(=O)COc2ccccc2C(C)C)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide?
The InChIKey is ZAPZWIYKHVKAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-4-24-17-11-9-16(10-12-17)13-21-22-20(23)14-25-19-8-6-5-7-18(19)15(2)3/h5-13,15H,4,14H2,1-3H3,(H,22,23).
What are the key properties of N-[(4-ethoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide?
N-[(4-ethoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide has a molecular weight of 340.42 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 922539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).