2-(2,6-dibromo-4-methoxyphenoxy)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide

C19H20Br2N2O6 — CID 3980653

IUPAC2-(2,6-dibromo-4-methoxyphenoxy)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(Br)c(OCC(=O)NN=Cc2cc(OC)c(OC)c(OC)c2)c(Br)c1
InChIInChI=1S/C19H20Br2N2O6/c1-25-12-7-13(20)18(14(21)8-12)29-10-17(24)23-22-9-11-5-15(26-2)19(28-4)16(6-11)27-3/h5-9H,10H2,1-4H3,(H,23,24)
InChIKeyRKEBITLTHYPFJQ-UHFFFAOYSA-N
MW532.19 g/mol
LogP3.78
Rot. Bonds9

About 2-(2,6-dibromo-4-methoxyphenoxy)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide

2-(2,6-dibromo-4-methoxyphenoxy)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide (PubChem CID 3980653) has the molecular formula C19H20Br2N2O6 and a molecular weight of 532.19 g/mol. Its IUPAC name is 2-(2,6-dibromo-4-methoxyphenoxy)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,6-dibromo-4-methoxyphenoxy)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
PubChem CID3980653
Molecular FormulaC19H20Br2N2O6
Molecular Weight532.19 g/mol
Exact Mass529.97
IUPAC Name2-(2,6-dibromo-4-methoxyphenoxy)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(Br)c(OCC(=O)NN=Cc2cc(OC)c(OC)c(OC)c2)c(Br)c1
InChIInChI=1S/C19H20Br2N2O6/c1-25-12-7-13(20)18(14(21)8-12)29-10-17(24)23-22-9-11-5-15(26-2)19(28-4)16(6-11)27-3/h5-9H,10H2,1-4H3,(H,23,24)
InChIKeyRKEBITLTHYPFJQ-UHFFFAOYSA-N
XLogP3.78
TPSA87.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.19
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(2-bromo-4-methoxyphenoxy)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 3995344
2-(2,6-dibromo-4-methoxyphenoxy)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135717336
N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 19190612
2-(4-chlorophenoxy)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 6898643
2-(2-bromo-4-tert-butylphenoxy)-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 6231186
N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
CID 19183176
2-(4-bromo-2-propan-2-ylphenoxy)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 19207996
2-(4-tert-butylphenoxy)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 6898637
2-(2-bromo-4-tert-butylphenoxy)-N-[(E)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]acetamide
CID 19207935
N-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(3-chlorophenoxy)acetamide
CID 19190528
N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-N'-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]hexanediamide
CID 6152520
N-[(Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2-(2,6-dibromo-4-methoxyphenoxy)acetamide
CID 136720696

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibromo-4-methoxyphenoxy)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2,6-dibromo-4-methoxyphenoxy)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide (CID 3980653) is 2-(2,6-dibromo-4-methoxyphenoxy)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,6-dibromo-4-methoxyphenoxy)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,6-dibromo-4-methoxyphenoxy)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide is COc1cc(Br)c(OCC(=O)NN=Cc2cc(OC)c(OC)c(OC)c2)c(Br)c1.
What is the InChIKey of 2-(2,6-dibromo-4-methoxyphenoxy)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide?
The InChIKey is RKEBITLTHYPFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Br2N2O6/c1-25-12-7-13(20)18(14(21)8-12)29-10-17(24)23-22-9-11-5-15(26-2)19(28-4)16(6-11)27-3/h5-9H,10H2,1-4H3,(H,23,24).
What are the key properties of 2-(2,6-dibromo-4-methoxyphenoxy)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide?
2-(2,6-dibromo-4-methoxyphenoxy)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide has a molecular weight of 532.19 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dibromo-4-methoxyphenoxy)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 3980653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).