N'-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-N-cyclopropyloxamide

C15H18BrN3O4 — CID 8931721

IUPACN'-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-N-cyclopropyloxamide
SMILESCCOc1c(Br)cc(/C=N\NC(=O)C(=O)NC2CC2)cc1OC
InChIInChI=1S/C15H18BrN3O4/c1-3-23-13-11(16)6-9(7-12(13)22-2)8-17-19-15(21)14(20)18-10-4-5-10/h6-8,10H,3-5H2,1-2H3,(H,18,20)(H,19,21)/b17-8-
InChIKeyITBQMZJUMTZUJX-IUXPMGMMSA-N
MW384.23 g/mol
LogP1.59
Rot. Bonds6

About N'-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-N-cyclopropyloxamide

N'-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-N-cyclopropyloxamide (PubChem CID 8931721) has the molecular formula C15H18BrN3O4 and a molecular weight of 384.23 g/mol. Its IUPAC name is N'-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-N-cyclopropyloxamide.

Molecular Properties

Compound NameN'-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-N-cyclopropyloxamide
PubChem CID8931721
Molecular FormulaC15H18BrN3O4
Molecular Weight384.23 g/mol
Exact Mass383.05
IUPAC NameN'-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-N-cyclopropyloxamide
SMILESCCOc1c(Br)cc(/C=N\NC(=O)C(=O)NC2CC2)cc1OC
InChIInChI=1S/C15H18BrN3O4/c1-3-23-13-11(16)6-9(7-12(13)22-2)8-17-19-15(21)14(20)18-10-4-5-10/h6-8,10H,3-5H2,1-2H3,(H,18,20)(H,19,21)/b17-8-
InChIKeyITBQMZJUMTZUJX-IUXPMGMMSA-N
XLogP1.59
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.23
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(Z)-(3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-cyclopropyloxamide
CID 8989357
2-[2-chloro-4-[(Z)-[[2-(cyclopropylamino)-2-oxoacetyl]hydrazinylidene]methyl]-6-methoxyphenoxy]acetic acid
CID 8989928
N-cyclopropyl-N'-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]oxamide
CID 137048193
2-[2-bromo-4-[(carbamoylhydrazinylidene)methyl]-6-methoxyphenoxy]-N-cyclohexylacetamide
CID 168533387
N-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(4-bromophenyl)acetamide
CID 93066684
N-[(E)-(3-bromo-5-methoxy-4-propoxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 6908744
N'-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-N-cyclopropyloxamide
CID 8896947
(1S,6S,7R)-N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-1-methylbicyclo[4.1.0]heptane-7-carboxamide
CID 7269868
(1S,6R,7S)-N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-1-methylbicyclo[4.1.0]heptane-7-carboxamide
CID 98075300
N'-[(Z)-(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]oxamide
CID 9120919
N-[(E)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-2-(3,4-dimethylphenyl)acetamide
CID 21379926
2-amino-N-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]benzamide
CID 110512103

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-N-cyclopropyloxamide?
The IUPAC name of N'-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-N-cyclopropyloxamide (CID 8931721) is N'-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-N-cyclopropyloxamide.
What is the SMILES notation for N'-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-N-cyclopropyloxamide?
The canonical SMILES for N'-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-N-cyclopropyloxamide is CCOc1c(Br)cc(/C=N\NC(=O)C(=O)NC2CC2)cc1OC.
What is the InChIKey of N'-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-N-cyclopropyloxamide?
The InChIKey is ITBQMZJUMTZUJX-IUXPMGMMSA-N. The full InChI is InChI=1S/C15H18BrN3O4/c1-3-23-13-11(16)6-9(7-12(13)22-2)8-17-19-15(21)14(20)18-10-4-5-10/h6-8,10H,3-5H2,1-2H3,(H,18,20)(H,19,21)/b17-8-.
What are the key properties of N'-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-N-cyclopropyloxamide?
N'-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-N-cyclopropyloxamide has a molecular weight of 384.23 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-N-cyclopropyloxamide is sourced from PubChem (CID 8931721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).