N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide

C20H24N2O4 — CID 135603999

IUPACN-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
SMILESCCOc1cc(/C=N/NC(=O)COc2ccccc2C(C)C)ccc1O
InChIInChI=1S/C20H24N2O4/c1-4-25-19-11-15(9-10-17(19)23)12-21-22-20(24)13-26-18-8-6-5-7-16(18)14(2)3/h5-12,14,23H,4,13H2,1-3H3,(H,22,24)/b21-12+
InChIKeyZVGZECPBKPRRJT-CIAFOILYSA-N
MW356.42 g/mol
LogP3.44
Rot. Bonds8

About N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide

N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide (PubChem CID 135603999) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
PubChem CID135603999
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
SMILESCCOc1cc(/C=N/NC(=O)COc2ccccc2C(C)C)ccc1O
InChIInChI=1S/C20H24N2O4/c1-4-25-19-11-15(9-10-17(19)23)12-21-22-20(24)13-26-18-8-6-5-7-16(18)14(2)3/h5-12,14,23H,4,13H2,1-3H3,(H,22,24)/b21-12+
InChIKeyZVGZECPBKPRRJT-CIAFOILYSA-N
XLogP3.44
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-ethoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 922539
N-(naphthalen-2-ylmethylideneamino)-2-(2-propan-2-ylphenoxy)acetamide
CID 922560
2-(2-tert-butylphenoxy)-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 135726412
N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2-prop-2-enylphenoxy)acetamide
CID 136829892
N-[(4-chlorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 922562
2-(2,6-dimethylphenoxy)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 135419496
N,N'-bis[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]butanediamide
CID 135884833
2-(2-ethoxyphenoxy)-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide
CID 7334062
2-(2,4-dibromo-3-methyl-6-propan-2-ylphenoxy)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 135644774
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(3-methoxyphenoxy)acetamide
CID 135805040
2-(2,4-dibromophenoxy)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 135604458
2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 136671547

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide (CID 135603999) is N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide is CCOc1cc(/C=N/NC(=O)COc2ccccc2C(C)C)ccc1O.
What is the InChIKey of N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide?
The InChIKey is ZVGZECPBKPRRJT-CIAFOILYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-4-25-19-11-15(9-10-17(19)23)12-21-22-20(24)13-26-18-8-6-5-7-16(18)14(2)3/h5-12,14,23H,4,13H2,1-3H3,(H,22,24)/b21-12+.
What are the key properties of N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide?
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide has a molecular weight of 356.42 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 135603999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).