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

C26H26N4O4 — CID 126167618

IUPACN'-[(Z)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)cc1
InChIInChI=1S/C26H26N4O4/c1-17-7-11-21(12-8-17)28-25(32)26(33)30-27-15-20-9-13-22(14-10-20)34-16-24(31)29-23-6-4-5-18(2)19(23)3/h4-15H,16H2,1-3H3,(H,28,32)(H,29,31)(H,30,33)/b27-15-
InChIKeyTUNSOTJJCHCJMP-DICXZTSXSA-N
MW458.52 g/mol
LogP3.72
Rot. Bonds7

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

N'-[(Z)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide (PubChem CID 126167618) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is N'-[(Z)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
PubChem CID126167618
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC NameN'-[(Z)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)cc1
InChIInChI=1S/C26H26N4O4/c1-17-7-11-21(12-8-17)28-25(32)26(33)30-27-15-20-9-13-22(14-10-20)34-16-24(31)29-23-6-4-5-18(2)19(23)3/h4-15H,16H2,1-3H3,(H,28,32)(H,29,31)(H,30,33)/b27-15-
InChIKeyTUNSOTJJCHCJMP-DICXZTSXSA-N
XLogP3.72
TPSA108.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 53.72
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-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide
CID 126268895
N'-[(Z)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[(4-methylphenyl)methyl]oxamide
CID 126272488
N-(3-chlorophenyl)-N'-[(Z)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126271690
N'-[(Z)-[4-[2-(2,3-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 126177044
2-[4-[(Z)-[[2-(2,3-dimethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 8989747
N-cyclopropyl-N'-[(Z)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126278983
N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide
CID 126181865
N-(2-fluorophenyl)-N'-[(Z)-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 94832672
N-(4-butoxyphenyl)-N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126269997
N-(4-ethylphenyl)-N'-[(Z)-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126179579
N-(2,3-dimethylphenyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988908
N'-[(E)-[4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide
CID 6893019

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide?
The IUPAC name of N'-[(Z)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide (CID 126167618) is N'-[(Z)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide.
What is the SMILES notation for N'-[(Z)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide?
The canonical SMILES for N'-[(Z)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)cc1.
What is the InChIKey of N'-[(Z)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide?
The InChIKey is TUNSOTJJCHCJMP-DICXZTSXSA-N. The full InChI is InChI=1S/C26H26N4O4/c1-17-7-11-21(12-8-17)28-25(32)26(33)30-27-15-20-9-13-22(14-10-20)34-16-24(31)29-23-6-4-5-18(2)19(23)3/h4-15H,16H2,1-3H3,(H,28,32)(H,29,31)(H,30,33)/b27-15-.
What are the key properties of N'-[(Z)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide?
N'-[(Z)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide has a molecular weight of 458.52 g/mol, XLogP of 3.72, 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-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide is sourced from PubChem (CID 126167618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).