N-benzyl-N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]oxamide

C19H20BrN3O3 — CID 8988880

IUPACN-benzyl-N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]oxamide
SMILESCCCOc1ccc(Br)cc1/C=N\NC(=O)C(=O)NCc1ccccc1
InChIInChI=1S/C19H20BrN3O3/c1-2-10-26-17-9-8-16(20)11-15(17)13-22-23-19(25)18(24)21-12-14-6-4-3-5-7-14/h3-9,11,13H,2,10,12H2,1H3,(H,21,24)(H,23,25)/b22-13-
InChIKeyZLLPMCMVXAVZDK-XKZIYDEJSA-N
MW418.29 g/mol
LogP3.00
Rot. Bonds7

About N-benzyl-N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]oxamide

N-benzyl-N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]oxamide (PubChem CID 8988880) has the molecular formula C19H20BrN3O3 and a molecular weight of 418.29 g/mol. Its IUPAC name is N-benzyl-N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-benzyl-N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]oxamide
PubChem CID8988880
Molecular FormulaC19H20BrN3O3
Molecular Weight418.29 g/mol
Exact Mass417.07
IUPAC NameN-benzyl-N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]oxamide
SMILESCCCOc1ccc(Br)cc1/C=N\NC(=O)C(=O)NCc1ccccc1
InChIInChI=1S/C19H20BrN3O3/c1-2-10-26-17-9-8-16(20)11-15(17)13-22-23-19(25)18(24)21-12-14-6-4-3-5-7-14/h3-9,11,13H,2,10,12H2,1H3,(H,21,24)(H,23,25)/b22-13-
InChIKeyZLLPMCMVXAVZDK-XKZIYDEJSA-N
XLogP3.00
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.29
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 8988884
N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 8988871
N'-[(Z)-(5-bromo-2-ethoxyphenyl)methylideneamino]-N-(2-phenylethyl)oxamide
CID 8931387
N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide
CID 8988874
N-[(E)-(5-bromo-2-octoxyphenyl)methylideneamino]-2-phenylacetamide
CID 124552591
N'-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 51061179
N'-[(Z)-[2-(2-anilino-2-oxoethoxy)-5-bromophenyl]methylideneamino]-N-ethyloxamide
CID 126181829
N,N'-bis[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]heptanediamide
CID 6021856
N,N'-bis[(5-bromo-2-propoxyphenyl)methylideneamino]heptanediamide
CID 4149823
ethyl N-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]carbamate
CID 9076112
N-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126338966
N'-[(Z)-[5-bromo-2-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-methylphenyl)methyl]oxamide
CID 126177218

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-benzyl-N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]oxamide (CID 8988880) is N-benzyl-N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-benzyl-N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-benzyl-N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]oxamide is CCCOc1ccc(Br)cc1/C=N\NC(=O)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]oxamide?
The InChIKey is ZLLPMCMVXAVZDK-XKZIYDEJSA-N. The full InChI is InChI=1S/C19H20BrN3O3/c1-2-10-26-17-9-8-16(20)11-15(17)13-22-23-19(25)18(24)21-12-14-6-4-3-5-7-14/h3-9,11,13H,2,10,12H2,1H3,(H,21,24)(H,23,25)/b22-13-.
What are the key properties of N-benzyl-N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]oxamide?
N-benzyl-N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]oxamide has a molecular weight of 418.29 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 8988880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).