2-(2-bromo-4,6-dimethylphenoxy)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide

C18H19BrN2O3 — CID 135716591

IUPAC2-(2-bromo-4,6-dimethylphenoxy)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide
SMILESCc1cc(C)c(OCC(=O)N/N=C/c2cccc(C)c2O)c(Br)c1
InChIInChI=1S/C18H19BrN2O3/c1-11-7-13(3)18(15(19)8-11)24-10-16(22)21-20-9-14-6-4-5-12(2)17(14)23/h4-9,23H,10H2,1-3H3,(H,21,22)/b20-9+
InChIKeyMPZASUOOBIHZST-AWQFTUOYSA-N
MW391.27 g/mol
LogP3.61
Rot. Bonds5

About 2-(2-bromo-4,6-dimethylphenoxy)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide

2-(2-bromo-4,6-dimethylphenoxy)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide (PubChem CID 135716591) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is 2-(2-bromo-4,6-dimethylphenoxy)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4,6-dimethylphenoxy)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide
PubChem CID135716591
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC Name2-(2-bromo-4,6-dimethylphenoxy)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide
SMILESCc1cc(C)c(OCC(=O)N/N=C/c2cccc(C)c2O)c(Br)c1
InChIInChI=1S/C18H19BrN2O3/c1-11-7-13(3)18(15(19)8-11)24-10-16(22)21-20-9-14-6-4-5-12(2)17(14)23/h4-9,23H,10H2,1-3H3,(H,21,22)/b20-9+
InChIKeyMPZASUOOBIHZST-AWQFTUOYSA-N
XLogP3.61
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2-bromo-4,6-dimethylphenoxy)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bromo-4,6-dimethylphenoxy)-N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]acetamide
CID 135884101
2-(2-bromo-4,6-dimethylphenoxy)-N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]acetamide
CID 135822484
N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-(2-bromo-4,6-dimethylphenoxy)acetamide
CID 38052163
2-(2-bromo-4,6-dimethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide
CID 28628688
2-(2,3-dimethylphenoxy)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide
CID 135590182
2-(2-bromo-4,6-dimethylphenoxy)-N-[(4-hydroxy-3-iodophenyl)methylideneamino]acetamide
CID 3928116
2-(2-bromo-4,6-dimethylphenoxy)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135644402
2-(2-bromo-4,6-dimethylphenoxy)-N-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 135881814
2-(2-bromo-4,6-dimethylphenoxy)-N-[(Z)-(5-chlorothiophen-2-yl)methylideneamino]acetamide
CID 5434198
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-(2,4,6-trimethylphenoxy)acetamide
CID 5407844
2-(2,6-dibromo-4-methylphenoxy)-N-[(4-hydroxyphenyl)methylideneamino]acetamide
CID 1034891
2-(2,6-dibromo-4-methylphenoxy)-N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]acetamide
CID 135688670

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,6-dimethylphenoxy)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-bromo-4,6-dimethylphenoxy)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide (CID 135716591) is 2-(2-bromo-4,6-dimethylphenoxy)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-bromo-4,6-dimethylphenoxy)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-bromo-4,6-dimethylphenoxy)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide is Cc1cc(C)c(OCC(=O)N/N=C/c2cccc(C)c2O)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4,6-dimethylphenoxy)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide?
The InChIKey is MPZASUOOBIHZST-AWQFTUOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-11-7-13(3)18(15(19)8-11)24-10-16(22)21-20-9-14-6-4-5-12(2)17(14)23/h4-9,23H,10H2,1-3H3,(H,21,22)/b20-9+.
What are the key properties of 2-(2-bromo-4,6-dimethylphenoxy)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide?
2-(2-bromo-4,6-dimethylphenoxy)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide has a molecular weight of 391.27 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,6-dimethylphenoxy)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135716591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).