N'-[(Z)-[2-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-methylphenyl)methyl]oxamide

C26H26N4O5 — CID 126276151

IUPACN'-[(Z)-[2-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-methylphenyl)methyl]oxamide
SMILESCOc1cccc(NC(=O)COc2ccccc2/C=N\NC(=O)C(=O)NCc2ccc(C)cc2)c1
InChIInChI=1S/C26H26N4O5/c1-18-10-12-19(13-11-18)15-27-25(32)26(33)30-28-16-20-6-3-4-9-23(20)35-17-24(31)29-21-7-5-8-22(14-21)34-2/h3-14,16H,15,17H2,1-2H3,(H,27,32)(H,29,31)(H,30,33)/b28-16-
InChIKeyNCPGJLAEGVARGY-NTFVMDSBSA-N
MW474.52 g/mol
LogP2.79
Rot. Bonds9

About N'-[(Z)-[2-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-methylphenyl)methyl]oxamide

N'-[(Z)-[2-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-methylphenyl)methyl]oxamide (PubChem CID 126276151) has the molecular formula C26H26N4O5 and a molecular weight of 474.52 g/mol. Its IUPAC name is N'-[(Z)-[2-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-methylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[(Z)-[2-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-methylphenyl)methyl]oxamide
PubChem CID126276151
Molecular FormulaC26H26N4O5
Molecular Weight474.52 g/mol
Exact Mass474.19
IUPAC NameN'-[(Z)-[2-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-methylphenyl)methyl]oxamide
SMILESCOc1cccc(NC(=O)COc2ccccc2/C=N\NC(=O)C(=O)NCc2ccc(C)cc2)c1
InChIInChI=1S/C26H26N4O5/c1-18-10-12-19(13-11-18)15-27-25(32)26(33)30-28-16-20-6-3-4-9-23(20)35-17-24(31)29-21-7-5-8-22(14-21)34-2/h3-14,16H,15,17H2,1-2H3,(H,27,32)(H,29,31)(H,30,33)/b28-16-
InChIKeyNCPGJLAEGVARGY-NTFVMDSBSA-N
XLogP2.79
TPSA118.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 52.79
H-Bond Donors ≤ 53
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-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 126277741
N-[(4-methoxyphenyl)methyl]-N'-[(Z)-[2-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]oxamide
CID 126272820
N-(2,6-dimethylphenyl)-N'-[(Z)-[2-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126275106
N-[(4-methoxyphenyl)methyl]-N'-[(Z)-[2-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126275708
N'-[(Z)-[2-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 126175158
3-methoxy-N-[(E)-[2-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126267926
N-benzyl-N'-[(Z)-[2-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126178317
N'-[(Z)-[2-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 126159508
N'-[(Z)-[2-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 126159885
N-[(4-methoxyphenyl)methyl]-N'-[(Z)-[3-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126272793
N'-[(Z)-[3-methoxy-4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-methoxyphenyl)methyl]oxamide
CID 126257696
N'-[(Z)-[2-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(3-methylphenyl)oxamide
CID 126175885

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[2-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-methylphenyl)methyl]oxamide?
The IUPAC name of N'-[(Z)-[2-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-methylphenyl)methyl]oxamide (CID 126276151) is N'-[(Z)-[2-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-methylphenyl)methyl]oxamide.
What is the SMILES notation for N'-[(Z)-[2-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-methylphenyl)methyl]oxamide?
The canonical SMILES for N'-[(Z)-[2-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-methylphenyl)methyl]oxamide is COc1cccc(NC(=O)COc2ccccc2/C=N\NC(=O)C(=O)NCc2ccc(C)cc2)c1.
What is the InChIKey of N'-[(Z)-[2-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-methylphenyl)methyl]oxamide?
The InChIKey is NCPGJLAEGVARGY-NTFVMDSBSA-N. The full InChI is InChI=1S/C26H26N4O5/c1-18-10-12-19(13-11-18)15-27-25(32)26(33)30-28-16-20-6-3-4-9-23(20)35-17-24(31)29-21-7-5-8-22(14-21)34-2/h3-14,16H,15,17H2,1-2H3,(H,27,32)(H,29,31)(H,30,33)/b28-16-.
What are the key properties of N'-[(Z)-[2-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-methylphenyl)methyl]oxamide?
N'-[(Z)-[2-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-methylphenyl)methyl]oxamide has a molecular weight of 474.52 g/mol, XLogP of 2.79, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[2-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-methylphenyl)methyl]oxamide is sourced from PubChem (CID 126276151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).