N'-[(E)-(2-methoxyphenyl)methylideneamino]-N-phenyloxamide

C16H15N3O3 — CID 5335071

IUPACN'-[(E)-(2-methoxyphenyl)methylideneamino]-N-phenyloxamide
SMILESCOc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1
InChIInChI=1S/C16H15N3O3/c1-22-14-10-6-5-7-12(14)11-17-19-16(21)15(20)18-13-8-3-2-4-9-13/h2-11H,1H3,(H,18,20)(H,19,21)/b17-11+
InChIKeySSIKBDKVXUYVRN-GZTJUZNOSA-N
MW297.31 g/mol
LogP1.78
Rot. Bonds4

About N'-[(E)-(2-methoxyphenyl)methylideneamino]-N-phenyloxamide

N'-[(E)-(2-methoxyphenyl)methylideneamino]-N-phenyloxamide (PubChem CID 5335071) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N'-[(E)-(2-methoxyphenyl)methylideneamino]-N-phenyloxamide.

Molecular Properties

Compound NameN'-[(E)-(2-methoxyphenyl)methylideneamino]-N-phenyloxamide
PubChem CID5335071
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN'-[(E)-(2-methoxyphenyl)methylideneamino]-N-phenyloxamide
SMILESCOc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1
InChIInChI=1S/C16H15N3O3/c1-22-14-10-6-5-7-12(14)11-17-19-16(21)15(20)18-13-8-3-2-4-9-13/h2-11H,1H3,(H,18,20)(H,19,21)/b17-11+
InChIKeySSIKBDKVXUYVRN-GZTJUZNOSA-N
XLogP1.78
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.78
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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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(2-methoxyphenyl)methylideneamino]-N-phenyloxamide?
The IUPAC name of N'-[(E)-(2-methoxyphenyl)methylideneamino]-N-phenyloxamide (CID 5335071) is N'-[(E)-(2-methoxyphenyl)methylideneamino]-N-phenyloxamide.
What is the SMILES notation for N'-[(E)-(2-methoxyphenyl)methylideneamino]-N-phenyloxamide?
The canonical SMILES for N'-[(E)-(2-methoxyphenyl)methylideneamino]-N-phenyloxamide is COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1.
What is the InChIKey of N'-[(E)-(2-methoxyphenyl)methylideneamino]-N-phenyloxamide?
The InChIKey is SSIKBDKVXUYVRN-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-22-14-10-6-5-7-12(14)11-17-19-16(21)15(20)18-13-8-3-2-4-9-13/h2-11H,1H3,(H,18,20)(H,19,21)/b17-11+.
What are the key properties of N'-[(E)-(2-methoxyphenyl)methylideneamino]-N-phenyloxamide?
N'-[(E)-(2-methoxyphenyl)methylideneamino]-N-phenyloxamide has a molecular weight of 297.31 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(2-methoxyphenyl)methylideneamino]-N-phenyloxamide is sourced from PubChem (CID 5335071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).