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

C26H26N4O5 — CID 126275708

IUPACN-[(4-methoxyphenyl)methyl]-N'-[(Z)-[2-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
SMILESCOc1ccc(CNC(=O)C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C26H26N4O5/c1-18-7-3-5-9-22(18)29-24(31)17-35-23-10-6-4-8-20(23)16-28-30-26(33)25(32)27-15-19-11-13-21(34-2)14-12-19/h3-14,16H,15,17H2,1-2H3,(H,27,32)(H,29,31)(H,30,33)/b28-16-
InChIKeyKBYHPRUJOFZMQW-NTFVMDSBSA-N
MW474.52 g/mol
LogP2.79
Rot. Bonds9

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

N-[(4-methoxyphenyl)methyl]-N'-[(Z)-[2-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide (PubChem CID 126275708) has the molecular formula C26H26N4O5 and a molecular weight of 474.52 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N'-[(Z)-[2-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N'-[(Z)-[2-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
PubChem CID126275708
Molecular FormulaC26H26N4O5
Molecular Weight474.52 g/mol
Exact Mass474.19
IUPAC NameN-[(4-methoxyphenyl)methyl]-N'-[(Z)-[2-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
SMILESCOc1ccc(CNC(=O)C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C26H26N4O5/c1-18-7-3-5-9-22(18)29-24(31)17-35-23-10-6-4-8-20(23)16-28-30-26(33)25(32)27-15-19-11-13-21(34-2)14-12-19/h3-14,16H,15,17H2,1-2H3,(H,27,32)(H,29,31)(H,30,33)/b28-16-
InChIKeyKBYHPRUJOFZMQW-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-[(4-methoxyphenyl)methyl]-N'-[(Z)-[2-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]phenyl]methylideneamino]oxamide
CID 126272820
N'-[(Z)-[2-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-methylphenyl)methyl]oxamide
CID 126276151
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(Z)-[2-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126263215
N'-[(Z)-[2-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 126157864
N-(2-ethoxyphenyl)-N'-[(Z)-[2-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126260646
N'-[(Z)-[2-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 126265492
N-cyclopropyl-N'-[(Z)-[2-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126262178
N'-[(Z)-[2-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,3-dimethylphenyl)oxamide
CID 126165878
N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide
CID 126267861
N-benzyl-N'-[(Z)-[2-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126178317
N'-[(Z)-[2-[2-(3,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide
CID 126161723
N'-[(Z)-[2-[2-(2,3-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide
CID 126181713

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N'-[(Z)-[2-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N'-[(Z)-[2-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide (CID 126275708) is N-[(4-methoxyphenyl)methyl]-N'-[(Z)-[2-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N'-[(Z)-[2-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N'-[(Z)-[2-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide is COc1ccc(CNC(=O)C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccccc2C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N'-[(Z)-[2-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide?
The InChIKey is KBYHPRUJOFZMQW-NTFVMDSBSA-N. The full InChI is InChI=1S/C26H26N4O5/c1-18-7-3-5-9-22(18)29-24(31)17-35-23-10-6-4-8-20(23)16-28-30-26(33)25(32)27-15-19-11-13-21(34-2)14-12-19/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-[(4-methoxyphenyl)methyl]-N'-[(Z)-[2-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide?
N-[(4-methoxyphenyl)methyl]-N'-[(Z)-[2-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]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-[(4-methoxyphenyl)methyl]-N'-[(Z)-[2-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide is sourced from PubChem (CID 126275708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).