N'-[[3-[2-(3,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methylphenyl)oxamide

C26H26N4O4 — CID 4536785

IUPACN'-[[3-[2-(3,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methylphenyl)oxamide
SMILESCc1cc(C)cc(NC(=O)COc2cccc(C=NNC(=O)C(=O)Nc3cccc(C)c3)c2)c1
InChIInChI=1S/C26H26N4O4/c1-17-6-4-8-21(11-17)29-25(32)26(33)30-27-15-20-7-5-9-23(14-20)34-16-24(31)28-22-12-18(2)10-19(3)13-22/h4-15H,16H2,1-3H3,(H,28,31)(H,29,32)(H,30,33)
InChIKeyKGTZNFHNWKQVCY-UHFFFAOYSA-N
MW458.52 g/mol
LogP3.72
Rot. Bonds7

About N'-[[3-[2-(3,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methylphenyl)oxamide

N'-[[3-[2-(3,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methylphenyl)oxamide (PubChem CID 4536785) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is N'-[[3-[2-(3,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-[[3-[2-(3,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methylphenyl)oxamide
PubChem CID4536785
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC NameN'-[[3-[2-(3,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methylphenyl)oxamide
SMILESCc1cc(C)cc(NC(=O)COc2cccc(C=NNC(=O)C(=O)Nc3cccc(C)c3)c2)c1
InChIInChI=1S/C26H26N4O4/c1-17-6-4-8-21(11-17)29-25(32)26(33)30-27-15-20-7-5-9-23(14-20)34-16-24(31)28-22-12-18(2)10-19(3)13-22/h4-15H,16H2,1-3H3,(H,28,31)(H,29,32)(H,30,33)
InChIKeyKGTZNFHNWKQVCY-UHFFFAOYSA-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)-[3-[2-(3-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methylphenyl)oxamide
CID 126175726
N'-[(Z)-[3-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methylphenyl)oxamide
CID 126173063
N-(2-fluorophenyl)-N'-[(Z)-[3-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126269846
N'-[(Z)-[3-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3,4-dimethylphenyl)oxamide
CID 126169306
N'-[(Z)-(3-ethoxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide
CID 8932255
N'-[(Z)-[3-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 126160371
N-[(4-methoxyphenyl)methyl]-N'-[(Z)-[3-[2-(3-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126272793
N-(3-methylphenyl)-N'-[(E)-(3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 45055326
N'-[(Z)-[3-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-N-(2,6-dimethylphenyl)oxamide
CID 126257327
N'-[(Z)-[3-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-chlorophenyl)oxamide
CID 126270674
N'-[(Z)-[4-[2-(2,6-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methylphenyl)oxamide
CID 126171248
N'-[(Z)-[3-[2-(2,6-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,6-dimethylphenyl)oxamide
CID 126260945

Frequently Asked Questions

What is the IUPAC name of N'-[[3-[2-(3,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methylphenyl)oxamide?
The IUPAC name of N'-[[3-[2-(3,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methylphenyl)oxamide (CID 4536785) is N'-[[3-[2-(3,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methylphenyl)oxamide.
What is the SMILES notation for N'-[[3-[2-(3,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methylphenyl)oxamide?
The canonical SMILES for N'-[[3-[2-(3,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methylphenyl)oxamide is Cc1cc(C)cc(NC(=O)COc2cccc(C=NNC(=O)C(=O)Nc3cccc(C)c3)c2)c1.
What is the InChIKey of N'-[[3-[2-(3,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methylphenyl)oxamide?
The InChIKey is KGTZNFHNWKQVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4/c1-17-6-4-8-21(11-17)29-25(32)26(33)30-27-15-20-7-5-9-23(14-20)34-16-24(31)28-22-12-18(2)10-19(3)13-22/h4-15H,16H2,1-3H3,(H,28,31)(H,29,32)(H,30,33).
What are the key properties of N'-[[3-[2-(3,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methylphenyl)oxamide?
N'-[[3-[2-(3,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-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'-[[3-[2-(3,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methylphenyl)oxamide is sourced from PubChem (CID 4536785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).