N-(3,5-dimethylphenyl)-N'-[(E)-[3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]oxamide

C25H25N3O3 — CID 19661382

IUPACN-(3,5-dimethylphenyl)-N'-[(E)-[3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
SMILESCc1cc(C)cc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccccc3C)c2)c1
InChIInChI=1S/C25H25N3O3/c1-17-11-18(2)13-22(12-17)27-24(29)25(30)28-26-15-20-8-6-10-23(14-20)31-16-21-9-5-4-7-19(21)3/h4-15H,16H2,1-3H3,(H,27,29)(H,28,30)/b26-15+
InChIKeyGRZMVEOVWUSIPT-CVKSISIWSA-N
MW415.49 g/mol
LogP4.28
Rot. Bonds6

About N-(3,5-dimethylphenyl)-N'-[(E)-[3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]oxamide

N-(3,5-dimethylphenyl)-N'-[(E)-[3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]oxamide (PubChem CID 19661382) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-N'-[(E)-[3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-N'-[(E)-[3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
PubChem CID19661382
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC NameN-(3,5-dimethylphenyl)-N'-[(E)-[3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
SMILESCc1cc(C)cc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccccc3C)c2)c1
InChIInChI=1S/C25H25N3O3/c1-17-11-18(2)13-22(12-17)27-24(29)25(30)28-26-15-20-8-6-10-23(14-20)31-16-21-9-5-4-7-19(21)3/h4-15H,16H2,1-3H3,(H,27,29)(H,28,30)/b26-15+
InChIKeyGRZMVEOVWUSIPT-CVKSISIWSA-N
XLogP4.28
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.28
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-(3-methylphenyl)-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 45055326
N-(4-methylphenyl)-N'-[(3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 3704074
N'-[[3-[2-(3,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methylphenyl)oxamide
CID 4536785
N-(3-chloro-4-methylphenyl)-N'-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 5166548
N-(4-bromophenyl)-N'-[(E)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 19658870
N'-[(Z)-(3-ethoxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide
CID 8932255
N-(2,6-dimethylphenyl)-N'-[[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
CID 5082451
N'-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 3715481
methyl 2-[[2-[2-[[3-[(2-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 5240660
N-(4-methylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide
CID 8989208
N'-[(Z)-(3-ethoxyphenyl)methylideneamino]-N-(2-methylphenyl)oxamide
CID 8932252
N-(3,4-dimethylphenyl)-N'-[(Z)-(3-ethoxyphenyl)methylideneamino]oxamide
CID 8932223

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-N'-[(E)-[3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]oxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-N'-[(E)-[3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]oxamide (CID 19661382) is N-(3,5-dimethylphenyl)-N'-[(E)-[3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-N'-[(E)-[3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]oxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-N'-[(E)-[3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]oxamide is Cc1cc(C)cc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccccc3C)c2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-N'-[(E)-[3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]oxamide?
The InChIKey is GRZMVEOVWUSIPT-CVKSISIWSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-17-11-18(2)13-22(12-17)27-24(29)25(30)28-26-15-20-8-6-10-23(14-20)31-16-21-9-5-4-7-19(21)3/h4-15H,16H2,1-3H3,(H,27,29)(H,28,30)/b26-15+.
What are the key properties of N-(3,5-dimethylphenyl)-N'-[(E)-[3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]oxamide?
N-(3,5-dimethylphenyl)-N'-[(E)-[3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]oxamide has a molecular weight of 415.49 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-N'-[(E)-[3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]oxamide is sourced from PubChem (CID 19661382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).