N-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide

C20H23BrN2O3 — CID 21379926

IUPACN-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide
SMILESCCOc1c(Br)cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)cc1OC
InChIInChI=1S/C20H23BrN2O3/c1-5-26-20-17(21)9-16(10-18(20)25-4)12-22-23-19(24)11-15-7-6-13(2)14(3)8-15/h6-10,12H,5,11H2,1-4H3,(H,23,24)/b22-12+
InChIKeyYWYWQBDTJNLNGI-WSDLNYQXSA-N
MW419.32 g/mol
LogP4.17
Rot. Bonds7

About N-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide

N-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide (PubChem CID 21379926) has the molecular formula C20H23BrN2O3 and a molecular weight of 419.32 g/mol. Its IUPAC name is N-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide
PubChem CID21379926
Molecular FormulaC20H23BrN2O3
Molecular Weight419.32 g/mol
Exact Mass418.09
IUPAC NameN-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide
SMILESCCOc1c(Br)cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)cc1OC
InChIInChI=1S/C20H23BrN2O3/c1-5-26-20-17(21)9-16(10-18(20)25-4)12-22-23-19(24)11-15-7-6-13(2)14(3)8-15/h6-10,12H,5,11H2,1-4H3,(H,23,24)/b22-12+
InChIKeyYWYWQBDTJNLNGI-WSDLNYQXSA-N
XLogP4.17
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 54.17
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-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(4-bromophenyl)acetamide
CID 93066684
N-[(Z)-(3,4-diethoxy-5-iodophenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide
CID 6072446
N'-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-N-(2-methylphenyl)propanediamide
CID 3918466
N-[(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide
CID 3345435
N-[(E)-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-2-(4-bromophenyl)acetamide
CID 19061565
N-[(E)-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(3,4-dimethoxyphenyl)acetamide
CID 126367833
N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 110526228
N-[(E)-(3-bromo-5-methoxy-4-propoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133144017
N-[(E)-[3-bromo-4-[(4-iodophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126248618
N-[(Z)-(3,5-dibromo-4-ethoxyphenyl)methylideneamino]-2-phenylacetamide
CID 110515319
N'-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-N-(4-chlorophenyl)propanediamide
CID 4569066
N'-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)propanediamide
CID 5174740

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide?
The IUPAC name of N-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide (CID 21379926) is N-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for N-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide is CCOc1c(Br)cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)cc1OC.
What is the InChIKey of N-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide?
The InChIKey is YWYWQBDTJNLNGI-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H23BrN2O3/c1-5-26-20-17(21)9-16(10-18(20)25-4)12-22-23-19(24)11-15-7-6-13(2)14(3)8-15/h6-10,12H,5,11H2,1-4H3,(H,23,24)/b22-12+.
What are the key properties of N-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide?
N-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide has a molecular weight of 419.32 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 21379926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).