N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-phenyloxamide

C16H15N3O4 — CID 135459059

IUPACN'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-phenyloxamide
SMILESCOc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2)c1O
InChIInChI=1S/C16H15N3O4/c1-23-13-9-5-6-11(14(13)20)10-17-19-16(22)15(21)18-12-7-3-2-4-8-12/h2-10,20H,1H3,(H,18,21)(H,19,22)/b17-10+
InChIKeyJJABGKPBFCXVKQ-LICLKQGHSA-N
MW313.31 g/mol
LogP1.49
Rot. Bonds4

About N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-phenyloxamide

N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-phenyloxamide (PubChem CID 135459059) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-phenyloxamide.

Molecular Properties

Compound NameN'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-phenyloxamide
PubChem CID135459059
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC NameN'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-phenyloxamide
SMILESCOc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2)c1O
InChIInChI=1S/C16H15N3O4/c1-23-13-9-5-6-11(14(13)20)10-17-19-16(22)15(21)18-12-7-3-2-4-8-12/h2-10,20H,1H3,(H,18,21)(H,19,22)/b17-10+
InChIKeyJJABGKPBFCXVKQ-LICLKQGHSA-N
XLogP1.49
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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-hydroxy-3-methoxyphenyl)methylideneamino]-N-phenyloxamide?
The IUPAC name of N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-phenyloxamide (CID 135459059) is N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-phenyloxamide.
What is the SMILES notation for N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-phenyloxamide?
The canonical SMILES for N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-phenyloxamide is COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2)c1O.
What is the InChIKey of N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-phenyloxamide?
The InChIKey is JJABGKPBFCXVKQ-LICLKQGHSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-23-13-9-5-6-11(14(13)20)10-17-19-16(22)15(21)18-12-7-3-2-4-8-12/h2-10,20H,1H3,(H,18,21)(H,19,22)/b17-10+.
What are the key properties of N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-phenyloxamide?
N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-phenyloxamide has a molecular weight of 313.31 g/mol, XLogP of 1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-phenyloxamide is sourced from PubChem (CID 135459059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).