N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide

C20H23BrN2O4 — CID 19183176

IUPACN-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
SMILESCCCc1ccc(OCC(=O)N/N=C/c2cc(Br)c(OC)c(OC)c2)cc1
InChIInChI=1S/C20H23BrN2O4/c1-4-5-14-6-8-16(9-7-14)27-13-19(24)23-22-12-15-10-17(21)20(26-3)18(11-15)25-2/h6-12H,4-5,13H2,1-3H3,(H,23,24)/b22-12+
InChIKeyJOTJWGQYZFWNGZ-WSDLNYQXSA-N
MW435.32 g/mol
LogP3.95
Rot. Bonds9

About N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide

N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide (PubChem CID 19183176) has the molecular formula C20H23BrN2O4 and a molecular weight of 435.32 g/mol. Its IUPAC name is N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
PubChem CID19183176
Molecular FormulaC20H23BrN2O4
Molecular Weight435.32 g/mol
Exact Mass434.08
IUPAC NameN-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
SMILESCCCc1ccc(OCC(=O)N/N=C/c2cc(Br)c(OC)c(OC)c2)cc1
InChIInChI=1S/C20H23BrN2O4/c1-4-5-14-6-8-16(9-7-14)27-13-19(24)23-22-12-15-10-17(21)20(26-3)18(11-15)25-2/h6-12H,4-5,13H2,1-3H3,(H,23,24)/b22-12+
InChIKeyJOTJWGQYZFWNGZ-WSDLNYQXSA-N
XLogP3.95
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.32
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-4,5-dimethoxyphenyl)methylideneamino]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 19190629
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
CID 6386184
N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 19190612
2-(2,6-dibromo-4-methoxyphenoxy)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 3980653
2-(2-bromo-4-methoxyphenoxy)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 3995344
2-(4-chlorophenoxy)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 6898643
N'-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)butanediamide
CID 4540205
2-(4-tert-butylphenoxy)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 6898637
N-[(Z)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658848
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 136659890
2-(4-butylphenoxy)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135606578
2-(2-bromo-4-tert-butylphenoxy)-N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]acetamide
CID 19207935

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide?
The IUPAC name of N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide (CID 19183176) is N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide?
The canonical SMILES for N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide is CCCc1ccc(OCC(=O)N/N=C/c2cc(Br)c(OC)c(OC)c2)cc1.
What is the InChIKey of N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide?
The InChIKey is JOTJWGQYZFWNGZ-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H23BrN2O4/c1-4-5-14-6-8-16(9-7-14)27-13-19(24)23-22-12-15-10-17(21)20(26-3)18(11-15)25-2/h6-12H,4-5,13H2,1-3H3,(H,23,24)/b22-12+.
What are the key properties of N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide?
N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide has a molecular weight of 435.32 g/mol, XLogP of 3.95, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide is sourced from PubChem (CID 19183176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).