N'-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide

C23H21N3O5 — CID 94846398

IUPACN'-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide
SMILESCOc1ccc(OC)c(/C=N\NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C23H21N3O5/c1-29-20-12-13-21(30-2)16(14-20)15-24-26-23(28)22(27)25-17-8-10-19(11-9-17)31-18-6-4-3-5-7-18/h3-15H,1-2H3,(H,25,27)(H,26,28)/b24-15-
InChIKeyKNGBLSOKPNMTTJ-IWIPYMOSSA-N
MW419.44 g/mol
LogP3.58
Rot. Bonds7

About N'-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide

N'-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide (PubChem CID 94846398) has the molecular formula C23H21N3O5 and a molecular weight of 419.44 g/mol. Its IUPAC name is N'-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide
PubChem CID94846398
Molecular FormulaC23H21N3O5
Molecular Weight419.44 g/mol
Exact Mass419.15
IUPAC NameN'-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide
SMILESCOc1ccc(OC)c(/C=N\NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C23H21N3O5/c1-29-20-12-13-21(30-2)16(14-20)15-24-26-23(28)22(27)25-17-8-10-19(11-9-17)31-18-6-4-3-5-7-18/h3-15H,1-2H3,(H,25,27)(H,26,28)/b24-15-
InChIKeyKNGBLSOKPNMTTJ-IWIPYMOSSA-N
XLogP3.58
TPSA98.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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)-(2,5-dimethoxyphenyl)methylideneamino]-N-methyloxamide
CID 126140196
N-(3,4-dichlorophenyl)-N'-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxamide
CID 19659942
N'-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-N-(2-methylphenyl)oxamide
CID 6876538
N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-phenylpropanediamide
CID 3455100
N-(4-methoxyphenyl)-N'-(4-phenoxyphenyl)oxamide
CID 44995857
N-[(2,5-dimethoxyphenyl)methylideneamino]-2,2-diphenoxyacetamide
CID 3406373
N-(2,4-dimethoxyphenyl)-N'-[(2-methoxyphenyl)methylideneamino]oxamide
CID 4133149
methyl N-[(2,5-dimethoxyphenyl)methylideneamino]carbamate
CID 5087461
N'-(3-methoxyphenyl)-N-(4-phenoxyphenyl)oxamide
CID 44999403
N'-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)oxamide
CID 136704523
N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide
CID 94846395
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 6026549

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide?
The IUPAC name of N'-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide (CID 94846398) is N'-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide.
What is the SMILES notation for N'-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide?
The canonical SMILES for N'-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide is COc1ccc(OC)c(/C=N\NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of N'-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide?
The InChIKey is KNGBLSOKPNMTTJ-IWIPYMOSSA-N. The full InChI is InChI=1S/C23H21N3O5/c1-29-20-12-13-21(30-2)16(14-20)15-24-26-23(28)22(27)25-17-8-10-19(11-9-17)31-18-6-4-3-5-7-18/h3-15H,1-2H3,(H,25,27)(H,26,28)/b24-15-.
What are the key properties of N'-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide?
N'-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide has a molecular weight of 419.44 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide is sourced from PubChem (CID 94846398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).