N'-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-N-propan-2-yloxamide

C16H23N3O4 — CID 8899053

IUPACN'-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-N-propan-2-yloxamide
SMILESCCOc1ccc(/C=N\NC(=O)C(=O)NC(C)C)c(OCC)c1
InChIInChI=1S/C16H23N3O4/c1-5-22-13-8-7-12(14(9-13)23-6-2)10-17-19-16(21)15(20)18-11(3)4/h7-11H,5-6H2,1-4H3,(H,18,20)(H,19,21)/b17-10-
InChIKeyFSAJMYUZVCFXGN-YVLHZVERSA-N
MW321.38 g/mol
LogP1.46
Rot. Bonds7

About N'-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-N-propan-2-yloxamide

N'-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-N-propan-2-yloxamide (PubChem CID 8899053) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is N'-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-N-propan-2-yloxamide.

Molecular Properties

Compound NameN'-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-N-propan-2-yloxamide
PubChem CID8899053
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC NameN'-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-N-propan-2-yloxamide
SMILESCCOc1ccc(/C=N\NC(=O)C(=O)NC(C)C)c(OCC)c1
InChIInChI=1S/C16H23N3O4/c1-5-22-13-8-7-12(14(9-13)23-6-2)10-17-19-16(21)15(20)18-11(3)4/h7-11H,5-6H2,1-4H3,(H,18,20)(H,19,21)/b17-10-
InChIKeyFSAJMYUZVCFXGN-YVLHZVERSA-N
XLogP1.46
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.46
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)-(2,4-dimethoxyphenyl)methylideneamino]-N-propan-2-yloxamide
CID 7658901
N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 29148688
N'-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide
CID 8899153
N-[(2,4-diethoxyphenyl)methylideneamino]cyclopentanecarboxamide
CID 24818496
(2R)-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 126272234
2-chloro-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]benzamide
CID 110509275
N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-2-methylbenzamide
CID 19060943
2-bromo-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]benzamide
CID 29146958
N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 99944801
2-chloro-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-4-methylbenzamide
CID 126060130
N-propan-2-yl-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988898
2-chloro-N-[(2,4-diethoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 3933448

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-N-propan-2-yloxamide?
The IUPAC name of N'-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-N-propan-2-yloxamide (CID 8899053) is N'-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-N-propan-2-yloxamide.
What is the SMILES notation for N'-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-N-propan-2-yloxamide?
The canonical SMILES for N'-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-N-propan-2-yloxamide is CCOc1ccc(/C=N\NC(=O)C(=O)NC(C)C)c(OCC)c1.
What is the InChIKey of N'-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-N-propan-2-yloxamide?
The InChIKey is FSAJMYUZVCFXGN-YVLHZVERSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-5-22-13-8-7-12(14(9-13)23-6-2)10-17-19-16(21)15(20)18-11(3)4/h7-11H,5-6H2,1-4H3,(H,18,20)(H,19,21)/b17-10-.
What are the key properties of N'-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-N-propan-2-yloxamide?
N'-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-N-propan-2-yloxamide has a molecular weight of 321.38 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-N-propan-2-yloxamide is sourced from PubChem (CID 8899053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).