N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide

C25H24N4O4 — CID 126181865

IUPACN'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide
SMILESCc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)C(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C25H24N4O4/c1-17-7-3-5-9-21(17)27-23(30)16-33-20-13-11-19(12-14-20)15-26-29-25(32)24(31)28-22-10-6-4-8-18(22)2/h3-15H,16H2,1-2H3,(H,27,30)(H,28,31)(H,29,32)/b26-15-
InChIKeySOCJCDONCBRALI-YSMPRRRNSA-N
MW444.49 g/mol
LogP3.41
Rot. Bonds7

About N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide

N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide (PubChem CID 126181865) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide
PubChem CID126181865
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC NameN'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide
SMILESCc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)C(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C25H24N4O4/c1-17-7-3-5-9-21(17)27-23(30)16-33-20-13-11-19(12-14-20)15-26-29-25(32)24(31)28-22-10-6-4-8-18(22)2/h3-15H,16H2,1-2H3,(H,27,30)(H,28,31)(H,29,32)/b26-15-
InChIKeySOCJCDONCBRALI-YSMPRRRNSA-N
XLogP3.41
TPSA108.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide
CID 94832973
N'-[(E)-[4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide
CID 6893019
N-(4-butoxyphenyl)-N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126269997
N-(2-methylphenyl)-N'-[(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 4637853
N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-phenylethyl)oxamide
CID 126158955
N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
CID 126173937
N-(furan-2-ylmethyl)-N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126260109
N'-[(Z)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 126167618
N-(2,3-dichlorophenyl)-N'-[(Z)-[4-[2-(2,6-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 41020309
4-methoxy-N-[(E)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126012880
N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide
CID 126267861
N-(2-fluorophenyl)-N'-[(Z)-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 94832672

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide?
The IUPAC name of N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide (CID 126181865) is N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide.
What is the SMILES notation for N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide?
The canonical SMILES for N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide is Cc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)C(=O)Nc2ccccc2C)cc1.
What is the InChIKey of N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide?
The InChIKey is SOCJCDONCBRALI-YSMPRRRNSA-N. The full InChI is InChI=1S/C25H24N4O4/c1-17-7-3-5-9-21(17)27-23(30)16-33-20-13-11-19(12-14-20)15-26-29-25(32)24(31)28-22-10-6-4-8-18(22)2/h3-15H,16H2,1-2H3,(H,27,30)(H,28,31)(H,29,32)/b26-15-.
What are the key properties of N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide?
N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide has a molecular weight of 444.49 g/mol, XLogP of 3.41, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide is sourced from PubChem (CID 126181865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).