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

C26H26N4O4 — CID 126158955

IUPACN'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-phenylethyl)oxamide
SMILESCc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C26H26N4O4/c1-19-7-5-6-10-23(19)29-24(31)18-34-22-13-11-21(12-14-22)17-28-30-26(33)25(32)27-16-15-20-8-3-2-4-9-20/h2-14,17H,15-16,18H2,1H3,(H,27,32)(H,29,31)(H,30,33)/b28-17-
InChIKeyFZFKDRNSVQZILB-QRQIAZFYSA-N
MW458.52 g/mol
LogP2.82
Rot. Bonds9

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

N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-phenylethyl)oxamide (PubChem CID 126158955) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-phenylethyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-phenylethyl)oxamide
PubChem CID126158955
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC NameN'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-phenylethyl)oxamide
SMILESCc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C26H26N4O4/c1-19-7-5-6-10-23(19)29-24(31)18-34-22-13-11-21(12-14-22)17-28-30-26(33)25(32)27-16-15-20-8-3-2-4-9-20/h2-14,17H,15-16,18H2,1H3,(H,27,32)(H,29,31)(H,30,33)/b28-17-
InChIKeyFZFKDRNSVQZILB-QRQIAZFYSA-N
XLogP2.82
TPSA108.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 52.82
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-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide
CID 126181865
N-(2-methoxyethyl)-N'-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]oxamide
CID 94832328
N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide
CID 126267861
N'-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide
CID 94832973
N-(furan-2-ylmethyl)-N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126260109
N-(4-butoxyphenyl)-N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126269997
N'-[(E)-[4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide
CID 6893019
N-benzyl-N'-[(Z)-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 94832350
N'-[(Z)-[4-[2-(2,6-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-N-(2-phenylethyl)oxamide
CID 126177103
N'-[(Z)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-methylphenyl)methyl]oxamide
CID 126272488
N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-propyloxamide
CID 126157880
N'-[(Z)-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-tert-butyloxamide
CID 94832283

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-phenylethyl)oxamide?
The IUPAC name of N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-phenylethyl)oxamide (CID 126158955) is N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-phenylethyl)oxamide.
What is the SMILES notation for N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-phenylethyl)oxamide?
The canonical SMILES for N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-phenylethyl)oxamide is Cc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)C(=O)NCCc2ccccc2)cc1.
What is the InChIKey of N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-phenylethyl)oxamide?
The InChIKey is FZFKDRNSVQZILB-QRQIAZFYSA-N. The full InChI is InChI=1S/C26H26N4O4/c1-19-7-5-6-10-23(19)29-24(31)18-34-22-13-11-21(12-14-22)17-28-30-26(33)25(32)27-16-15-20-8-3-2-4-9-20/h2-14,17H,15-16,18H2,1H3,(H,27,32)(H,29,31)(H,30,33)/b28-17-.
What are the key properties of N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-phenylethyl)oxamide?
N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-phenylethyl)oxamide has a molecular weight of 458.52 g/mol, XLogP of 2.82, 9 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-phenylethyl)oxamide is sourced from PubChem (CID 126158955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).