N-(3-methylphenyl)-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide

C23H21N3O3 — CID 45055326

IUPACN-(3-methylphenyl)-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide
SMILESCc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C23H21N3O3/c1-17-7-5-11-20(13-17)25-22(27)23(28)26-24-15-19-10-6-12-21(14-19)29-16-18-8-3-2-4-9-18/h2-15H,16H2,1H3,(H,25,27)(H,26,28)/b24-15+
InChIKeyKRWGJEXDLRJMNG-BUVRLJJBSA-N
MW387.44 g/mol
LogP3.66
Rot. Bonds6

About N-(3-methylphenyl)-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide

N-(3-methylphenyl)-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide (PubChem CID 45055326) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-(3-methylphenyl)-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide
PubChem CID45055326
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC NameN-(3-methylphenyl)-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide
SMILESCc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C23H21N3O3/c1-17-7-5-11-20(13-17)25-22(27)23(28)26-24-15-19-10-6-12-21(14-19)29-16-18-8-3-2-4-9-18/h2-15H,16H2,1H3,(H,25,27)(H,26,28)/b24-15+
InChIKeyKRWGJEXDLRJMNG-BUVRLJJBSA-N
XLogP3.66
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.66
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-(4-methylphenyl)-N'-[(3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 3704074
1-(3-methylphenyl)-3-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]thiourea
CID 5432034
N'-[(Z)-(3-ethoxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide
CID 8932255
N-(4-ethylphenyl)-N'-[(3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 3300834
methyl 4-[[2-oxo-2-[(2Z)-2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]acetyl]amino]benzoate
CID 133240898
N'-(benzylideneamino)-N-(3-methylphenyl)oxamide
CID 4143039
N'-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 3715481
N-(4-cyanophenyl)-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 19660375
N'-[[3-[2-(3,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methylphenyl)oxamide
CID 4536785
N'-[[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
CID 5221188
N-(3,5-dimethylphenyl)-N'-[(E)-[3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
CID 19661382
N-(5-chloro-2-methylphenyl)-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 126013831

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(3-methylphenyl)-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide (CID 45055326) is N-(3-methylphenyl)-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(3-methylphenyl)-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(3-methylphenyl)-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide is Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)c1.
What is the InChIKey of N-(3-methylphenyl)-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide?
The InChIKey is KRWGJEXDLRJMNG-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-17-7-5-11-20(13-17)25-22(27)23(28)26-24-15-19-10-6-12-21(14-19)29-16-18-8-3-2-4-9-18/h2-15H,16H2,1H3,(H,25,27)(H,26,28)/b24-15+.
What are the key properties of N-(3-methylphenyl)-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide?
N-(3-methylphenyl)-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide has a molecular weight of 387.44 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 45055326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).