N-[(Z)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2,3,6-trimethylphenoxy)acetamide

C20H23BrN2O4 — CID 136791940

IUPACN-[(Z)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2,3,6-trimethylphenoxy)acetamide
SMILESCCOc1cc(/C=N\NC(=O)COc2c(C)ccc(C)c2C)cc(Br)c1O
InChIInChI=1S/C20H23BrN2O4/c1-5-26-17-9-15(8-16(21)19(17)25)10-22-23-18(24)11-27-20-13(3)7-6-12(2)14(20)4/h6-10,25H,5,11H2,1-4H3,(H,23,24)/b22-10-
InChIKeyGDPYQRQSPADDPZ-YVNNLAQVSA-N
MW435.32 g/mol
LogP4.01
Rot. Bonds7

About N-[(Z)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2,3,6-trimethylphenoxy)acetamide

N-[(Z)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2,3,6-trimethylphenoxy)acetamide (PubChem CID 136791940) has the molecular formula C20H23BrN2O4 and a molecular weight of 435.32 g/mol. Its IUPAC name is N-[(Z)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2,3,6-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2,3,6-trimethylphenoxy)acetamide
PubChem CID136791940
Molecular FormulaC20H23BrN2O4
Molecular Weight435.32 g/mol
Exact Mass434.08
IUPAC NameN-[(Z)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2,3,6-trimethylphenoxy)acetamide
SMILESCCOc1cc(/C=N\NC(=O)COc2c(C)ccc(C)c2C)cc(Br)c1O
InChIInChI=1S/C20H23BrN2O4/c1-5-26-17-9-15(8-16(21)19(17)25)10-22-23-18(24)11-27-20-13(3)7-6-12(2)14(20)4/h6-10,25H,5,11H2,1-4H3,(H,23,24)/b22-10-
InChIKeyGDPYQRQSPADDPZ-YVNNLAQVSA-N
XLogP4.01
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.32
LogP ≤ 54.01
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-[(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-2-(2,3,6-trimethylphenoxy)acetamide
CID 1381741
N-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2,5-dimethylphenoxy)acetamide
CID 135825113
2-(2-bromo-4,6-dimethylphenoxy)-N-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 135881814
N-[(Z)-(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(2,3,6-trimethylphenoxy)acetamide
CID 135941994
N-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(4-bromophenoxy)acetamide
CID 135605759
N-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(4-chloro-2-methylphenoxy)acetamide
CID 135605761
N-[(Z)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(4-chloro-3-methylphenoxy)acetamide
CID 135873416
N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 135614407
N-[(E)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2,3,6-trimethylphenoxy)acetamide
CID 135643906
N-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 135825097
N-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 4521282
N-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 135606014

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2,3,6-trimethylphenoxy)acetamide?
The IUPAC name of N-[(Z)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2,3,6-trimethylphenoxy)acetamide (CID 136791940) is N-[(Z)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2,3,6-trimethylphenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2,3,6-trimethylphenoxy)acetamide?
The canonical SMILES for N-[(Z)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2,3,6-trimethylphenoxy)acetamide is CCOc1cc(/C=N\NC(=O)COc2c(C)ccc(C)c2C)cc(Br)c1O.
What is the InChIKey of N-[(Z)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2,3,6-trimethylphenoxy)acetamide?
The InChIKey is GDPYQRQSPADDPZ-YVNNLAQVSA-N. The full InChI is InChI=1S/C20H23BrN2O4/c1-5-26-17-9-15(8-16(21)19(17)25)10-22-23-18(24)11-27-20-13(3)7-6-12(2)14(20)4/h6-10,25H,5,11H2,1-4H3,(H,23,24)/b22-10-.
What are the key properties of N-[(Z)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2,3,6-trimethylphenoxy)acetamide?
N-[(Z)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2,3,6-trimethylphenoxy)acetamide has a molecular weight of 435.32 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(2,3,6-trimethylphenoxy)acetamide is sourced from PubChem (CID 136791940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).