N'-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]oxamide

C12H15N3O3 — CID 9120892

IUPACN'-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]oxamide
SMILESCOc1ccc(C/C(C)=N\NC(=O)C(N)=O)cc1
InChIInChI=1S/C12H15N3O3/c1-8(14-15-12(17)11(13)16)7-9-3-5-10(18-2)6-4-9/h3-6H,7H2,1-2H3,(H2,13,16)(H,15,17)/b14-8-
InChIKeyPENAFXHPDRZQEX-ZSOIEALJSA-N
MW249.27 g/mol
LogP0.22
Rot. Bonds4

About N'-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]oxamide

N'-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]oxamide (PubChem CID 9120892) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is N'-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]oxamide.

Molecular Properties

Compound NameN'-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]oxamide
PubChem CID9120892
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC NameN'-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]oxamide
SMILESCOc1ccc(C/C(C)=N\NC(=O)C(N)=O)cc1
InChIInChI=1S/C12H15N3O3/c1-8(14-15-12(17)11(13)16)7-9-3-5-10(18-2)6-4-9/h3-6H,7H2,1-2H3,(H2,13,16)(H,15,17)/b14-8-
InChIKeyPENAFXHPDRZQEX-ZSOIEALJSA-N
XLogP0.22
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.22
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'-[1-(4-methoxyphenyl)propan-2-ylideneamino]-N-propan-2-yloxamide
CID 3873637
4-methoxy-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide
CID 9359348
N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]cyclopropanecarboxamide
CID 9234745
N-(butan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide
CID 968760
2-bromo-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide
CID 7937148
N-(hexan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide
CID 3778528
N'-[(4-methoxyphenyl)methyl]oxamide
CID 2243752
3-iodo-N-[1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide
CID 3923844
2-(4-fluoroanilino)-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]acetamide
CID 6370873
[1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]urea
CID 2732243
[(E)-1-(4-methoxyphenyl)butan-2-ylideneamino]urea
CID 121013499
N-[(E)-1-(4-methoxyphenyl)propan-2-ylideneamino]aniline
CID 6005812

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]oxamide?
The IUPAC name of N'-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]oxamide (CID 9120892) is N'-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]oxamide.
What is the SMILES notation for N'-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]oxamide?
The canonical SMILES for N'-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]oxamide is COc1ccc(C/C(C)=N\NC(=O)C(N)=O)cc1.
What is the InChIKey of N'-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]oxamide?
The InChIKey is PENAFXHPDRZQEX-ZSOIEALJSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-8(14-15-12(17)11(13)16)7-9-3-5-10(18-2)6-4-9/h3-6H,7H2,1-2H3,(H2,13,16)(H,15,17)/b14-8-.
What are the key properties of N'-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]oxamide?
N'-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]oxamide has a molecular weight of 249.27 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]oxamide is sourced from PubChem (CID 9120892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).