N-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methylphenoxy)acetamide

C18H19BrN2O4 — CID 1349845

IUPACN-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
SMILESCCOc1cc(Br)cc(C=NNC(=O)COc2cccc(C)c2)c1O
InChIInChI=1S/C18H19BrN2O4/c1-3-24-16-9-14(19)8-13(18(16)23)10-20-21-17(22)11-25-15-6-4-5-12(2)7-15/h4-10,23H,3,11H2,1-2H3,(H,21,22)
InChIKeySPYHLQQFJZNEPM-UHFFFAOYSA-N
MW407.26 g/mol
LogP3.39
Rot. Bonds7

About N-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methylphenoxy)acetamide

N-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methylphenoxy)acetamide (PubChem CID 1349845) has the molecular formula C18H19BrN2O4 and a molecular weight of 407.26 g/mol. Its IUPAC name is N-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
PubChem CID1349845
Molecular FormulaC18H19BrN2O4
Molecular Weight407.26 g/mol
Exact Mass406.05
IUPAC NameN-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
SMILESCCOc1cc(Br)cc(C=NNC(=O)COc2cccc(C)c2)c1O
InChIInChI=1S/C18H19BrN2O4/c1-3-24-16-9-14(19)8-13(18(16)23)10-20-21-17(22)11-25-15-6-4-5-12(2)7-15/h4-10,23H,3,11H2,1-2H3,(H,21,22)
InChIKeySPYHLQQFJZNEPM-UHFFFAOYSA-N
XLogP3.39
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.26
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methylphenoxy)acetamide (CID 1349845) is N-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methylphenoxy)acetamide is CCOc1cc(Br)cc(C=NNC(=O)COc2cccc(C)c2)c1O.
What is the InChIKey of N-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methylphenoxy)acetamide?
The InChIKey is SPYHLQQFJZNEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O4/c1-3-24-16-9-14(19)8-13(18(16)23)10-20-21-17(22)11-25-15-6-4-5-12(2)7-15/h4-10,23H,3,11H2,1-2H3,(H,21,22).
What are the key properties of N-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methylphenoxy)acetamide?
N-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methylphenoxy)acetamide has a molecular weight of 407.26 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 1349845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).