2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide

C20H23BrN2O3 — CID 19182516

IUPAC2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide
SMILESCCCOc1ccc(/C=N/NC(=O)COc2c(C)cc(Br)cc2C)cc1
InChIInChI=1S/C20H23BrN2O3/c1-4-9-25-18-7-5-16(6-8-18)12-22-23-19(24)13-26-20-14(2)10-17(21)11-15(20)3/h5-8,10-12H,4,9,13H2,1-3H3,(H,23,24)/b22-12+
InChIKeyXDIPZOMJCGZNFW-WSDLNYQXSA-N
MW419.32 g/mol
LogP4.38
Rot. Bonds8

About 2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide

2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide (PubChem CID 19182516) has the molecular formula C20H23BrN2O3 and a molecular weight of 419.32 g/mol. Its IUPAC name is 2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide
PubChem CID19182516
Molecular FormulaC20H23BrN2O3
Molecular Weight419.32 g/mol
Exact Mass418.09
IUPAC Name2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide
SMILESCCCOc1ccc(/C=N/NC(=O)COc2c(C)cc(Br)cc2C)cc1
InChIInChI=1S/C20H23BrN2O3/c1-4-9-25-18-7-5-16(6-8-18)12-22-23-19(24)13-26-20-14(2)10-17(21)11-15(20)3/h5-8,10-12H,4,9,13H2,1-3H3,(H,23,24)/b22-12+
InChIKeyXDIPZOMJCGZNFW-WSDLNYQXSA-N
XLogP4.38
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 54.38
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

2-(4-bromophenoxy)-N-[(Z)-(4-butoxyphenyl)methylideneamino]acetamide
CID 6043296
2-(2,4-dimethylphenoxy)-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide
CID 19189781
2-(4-bromo-3-methylphenoxy)-N-[(E)-(4-butoxyphenyl)methylideneamino]acetamide
CID 19189802
2-(4-methoxyphenoxy)-N-[(Z)-(4-propoxyphenyl)methylideneamino]acetamide
CID 9315962
2-(4-bromo-2,6-dimethylphenoxy)-N-[2-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]hydrazinylidene]ethylideneamino]acetamide
CID 2195651
2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-[(2E)-2-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]hydrazinylidene]ethylidene]amino]acetamide
CID 6894955
2-(4-bromophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 5427428
[4-[[[2-(2,6-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate
CID 3985980
2-(4-butoxyphenoxy)-N-[(4-hydroxyphenyl)methylideneamino]acetamide
CID 3562472
2-(2-ethylphenoxy)-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide
CID 19182513
2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 19182694
2-(4-bromo-2,6-dimethylphenoxy)-N-(4-pentoxyphenyl)acetamide
CID 19175449

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide (CID 19182516) is 2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide is CCCOc1ccc(/C=N/NC(=O)COc2c(C)cc(Br)cc2C)cc1.
What is the InChIKey of 2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide?
The InChIKey is XDIPZOMJCGZNFW-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H23BrN2O3/c1-4-9-25-18-7-5-16(6-8-18)12-22-23-19(24)13-26-20-14(2)10-17(21)11-15(20)3/h5-8,10-12H,4,9,13H2,1-3H3,(H,23,24)/b22-12+.
What are the key properties of 2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide?
2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide has a molecular weight of 419.32 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 19182516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).