N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide

C16H15N3O3 — CID 2692945

IUPACN'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide
SMILESNC(=O)C(=O)NN=Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H15N3O3/c17-15(20)16(21)19-18-10-12-6-8-14(9-7-12)22-11-13-4-2-1-3-5-13/h1-10H,11H2,(H2,17,20)(H,19,21)
InChIKeyHDLPIYNVUICLEL-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.20
Rot. Bonds5

About N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide

N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide (PubChem CID 2692945) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide
PubChem CID2692945
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide
SMILESNC(=O)C(=O)NN=Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H15N3O3/c17-15(20)16(21)19-18-10-12-6-8-14(9-7-12)22-11-13-4-2-1-3-5-13/h1-10H,11H2,(H2,17,20)(H,19,21)
InChIKeyHDLPIYNVUICLEL-UHFFFAOYSA-N
XLogP1.20
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.20
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,N'-bis[(4-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 3730577
2-(4-phenylmethoxyphenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4259945
1-hydroxy-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]urea
CID 101171447
N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-N-propan-2-yloxamide
CID 7658895
2-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 171157296
N'-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 6910290
N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
CID 5401763
N-(2,6-dimethylphenyl)-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 6176038
N-(4-ethylphenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 3862743
(2R)-2-hydroxy-2-phenyl-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 1368192
N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 6880344
N-phenyl-N'-[(4-phenylmethoxyphenyl)methylideneamino]propanediamide
CID 3990065

Frequently Asked Questions

What is the IUPAC name of N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide (CID 2692945) is N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide is NC(=O)C(=O)NN=Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide?
The InChIKey is HDLPIYNVUICLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c17-15(20)16(21)19-18-10-12-6-8-14(9-7-12)22-11-13-4-2-1-3-5-13/h1-10H,11H2,(H2,17,20)(H,19,21).
What are the key properties of N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide?
N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide has a molecular weight of 297.31 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 2692945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).