N'-[(Z)-(3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-cyclopropyloxamide

C17H20BrN3O4 — CID 8989357

IUPACN'-[(Z)-(3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-cyclopropyloxamide
SMILESC=CCOc1c(Br)cc(/C=N\NC(=O)C(=O)NC2CC2)cc1OCC
InChIInChI=1S/C17H20BrN3O4/c1-3-7-25-15-13(18)8-11(9-14(15)24-4-2)10-19-21-17(23)16(22)20-12-5-6-12/h3,8-10,12H,1,4-7H2,2H3,(H,20,22)(H,21,23)/b19-10-
InChIKeyBLHPBVVXIWZXSC-GRSHGNNSSA-N
MW410.27 g/mol
LogP2.14
Rot. Bonds8

About N'-[(Z)-(3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-cyclopropyloxamide

N'-[(Z)-(3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-cyclopropyloxamide (PubChem CID 8989357) has the molecular formula C17H20BrN3O4 and a molecular weight of 410.27 g/mol. Its IUPAC name is N'-[(Z)-(3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-cyclopropyloxamide.

Molecular Properties

Compound NameN'-[(Z)-(3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-cyclopropyloxamide
PubChem CID8989357
Molecular FormulaC17H20BrN3O4
Molecular Weight410.27 g/mol
Exact Mass409.06
IUPAC NameN'-[(Z)-(3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-cyclopropyloxamide
SMILESC=CCOc1c(Br)cc(/C=N\NC(=O)C(=O)NC2CC2)cc1OCC
InChIInChI=1S/C17H20BrN3O4/c1-3-7-25-15-13(18)8-11(9-14(15)24-4-2)10-19-21-17(23)16(22)20-12-5-6-12/h3,8-10,12H,1,4-7H2,2H3,(H,20,22)(H,21,23)/b19-10-
InChIKeyBLHPBVVXIWZXSC-GRSHGNNSSA-N
XLogP2.14
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.27
LogP ≤ 52.14
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(Z)-(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]-N-cyclopropyloxamide
CID 8931721
4-amino-N-[(Z)-(3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 9071121
N-cyclopropyl-N'-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]oxamide
CID 137048193
N-cyclopropyl-N'-[(Z)-[3-ethoxy-5-iodo-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
CID 126270951
N'-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-N-cyclopropyloxamide
CID 8931670
2-[4-[(Z)-[[2-(cyclopropylamino)-2-oxoacetyl]hydrazinylidene]methyl]-2-ethoxyphenoxy]acetic acid
CID 8990084
N'-[(Z)-(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]oxamide
CID 9120919
N-cycloheptyl-N'-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide
CID 4678168
N-cycloheptyl-N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide
CID 135607606
N-[(Z)-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 29148844
N-[(E)-[4-(2-amino-2-oxoethoxy)-3-bromo-5-ethoxyphenyl]methylideneamino]-3-ethoxy-4-prop-2-enoxybenzamide
CID 126317475
N-cyclopropyl-N'-[(Z)-[3-ethoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
CID 126267752

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-cyclopropyloxamide?
The IUPAC name of N'-[(Z)-(3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-cyclopropyloxamide (CID 8989357) is N'-[(Z)-(3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-cyclopropyloxamide.
What is the SMILES notation for N'-[(Z)-(3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-cyclopropyloxamide?
The canonical SMILES for N'-[(Z)-(3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-cyclopropyloxamide is C=CCOc1c(Br)cc(/C=N\NC(=O)C(=O)NC2CC2)cc1OCC.
What is the InChIKey of N'-[(Z)-(3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-cyclopropyloxamide?
The InChIKey is BLHPBVVXIWZXSC-GRSHGNNSSA-N. The full InChI is InChI=1S/C17H20BrN3O4/c1-3-7-25-15-13(18)8-11(9-14(15)24-4-2)10-19-21-17(23)16(22)20-12-5-6-12/h3,8-10,12H,1,4-7H2,2H3,(H,20,22)(H,21,23)/b19-10-.
What are the key properties of N'-[(Z)-(3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-cyclopropyloxamide?
N'-[(Z)-(3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-cyclopropyloxamide has a molecular weight of 410.27 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-cyclopropyloxamide is sourced from PubChem (CID 8989357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).