N-(2,3,4-trimethylphenyl)-N'-[(Z)-(2,3,4-trimethylphenyl)methylideneamino]oxamide

C21H25N3O2 — CID 90750013

IUPACN-(2,3,4-trimethylphenyl)-N'-[(Z)-(2,3,4-trimethylphenyl)methylideneamino]oxamide
SMILESCc1ccc(/C=N\NC(=O)C(=O)Nc2ccc(C)c(C)c2C)c(C)c1C
InChIInChI=1S/C21H25N3O2/c1-12-7-9-18(16(5)14(12)3)11-22-24-21(26)20(25)23-19-10-8-13(2)15(4)17(19)6/h7-11H,1-6H3,(H,23,25)(H,24,26)/b22-11-
InChIKeyNITVPFVHCUGULL-JJFYIABZSA-N
MW351.45 g/mol
LogP3.63
Rot. Bonds3

About N-(2,3,4-trimethylphenyl)-N'-[(Z)-(2,3,4-trimethylphenyl)methylideneamino]oxamide

N-(2,3,4-trimethylphenyl)-N'-[(Z)-(2,3,4-trimethylphenyl)methylideneamino]oxamide (PubChem CID 90750013) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(2,3,4-trimethylphenyl)-N'-[(Z)-(2,3,4-trimethylphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2,3,4-trimethylphenyl)-N'-[(Z)-(2,3,4-trimethylphenyl)methylideneamino]oxamide
PubChem CID90750013
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-(2,3,4-trimethylphenyl)-N'-[(Z)-(2,3,4-trimethylphenyl)methylideneamino]oxamide
SMILESCc1ccc(/C=N\NC(=O)C(=O)Nc2ccc(C)c(C)c2C)c(C)c1C
InChIInChI=1S/C21H25N3O2/c1-12-7-9-18(16(5)14(12)3)11-22-24-21(26)20(25)23-19-10-8-13(2)15(4)17(19)6/h7-11H,1-6H3,(H,23,25)(H,24,26)/b22-11-
InChIKeyNITVPFVHCUGULL-JJFYIABZSA-N
XLogP3.63
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(5-chloro-2-methylphenyl)-N'-[(E)-(2,4-dichlorophenyl)methylideneamino]oxamide
CID 56698653
N'-[(2,4-dichlorophenyl)methylideneamino]-N-(2,5-dimethylphenyl)oxamide
CID 3426233
N'-(2,3,4-trimethylphenyl)oxamide
CID 115191617
N'-[(Z)-[2-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,3-dimethylphenyl)oxamide
CID 126165878
N-(2,3-dimethylphenyl)-N'-(furan-2-ylmethylideneamino)oxamide
CID 5050172
N-(2-fluorophenyl)-N'-[(Z)-(2-methylphenyl)methylideneamino]oxamide
CID 8898803
N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
CID 136891004
N-(2,3-dimethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide
CID 4620336
N-(2-ethylphenyl)-N'-[(Z)-(2-methylphenyl)methylideneamino]oxamide
CID 8898860
methyl 4-[[[2-(2,3-dimethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate
CID 3877148
5-oxo-5-(2,3,4-trimethylanilino)pentanoic acid
CID 115163822
N-(5-chloro-2-methylphenyl)-N'-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxamide
CID 6264911

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4-trimethylphenyl)-N'-[(Z)-(2,3,4-trimethylphenyl)methylideneamino]oxamide?
The IUPAC name of N-(2,3,4-trimethylphenyl)-N'-[(Z)-(2,3,4-trimethylphenyl)methylideneamino]oxamide (CID 90750013) is N-(2,3,4-trimethylphenyl)-N'-[(Z)-(2,3,4-trimethylphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(2,3,4-trimethylphenyl)-N'-[(Z)-(2,3,4-trimethylphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(2,3,4-trimethylphenyl)-N'-[(Z)-(2,3,4-trimethylphenyl)methylideneamino]oxamide is Cc1ccc(/C=N\NC(=O)C(=O)Nc2ccc(C)c(C)c2C)c(C)c1C.
What is the InChIKey of N-(2,3,4-trimethylphenyl)-N'-[(Z)-(2,3,4-trimethylphenyl)methylideneamino]oxamide?
The InChIKey is NITVPFVHCUGULL-JJFYIABZSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-12-7-9-18(16(5)14(12)3)11-22-24-21(26)20(25)23-19-10-8-13(2)15(4)17(19)6/h7-11H,1-6H3,(H,23,25)(H,24,26)/b22-11-.
What are the key properties of N-(2,3,4-trimethylphenyl)-N'-[(Z)-(2,3,4-trimethylphenyl)methylideneamino]oxamide?
N-(2,3,4-trimethylphenyl)-N'-[(Z)-(2,3,4-trimethylphenyl)methylideneamino]oxamide has a molecular weight of 351.45 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4-trimethylphenyl)-N'-[(Z)-(2,3,4-trimethylphenyl)methylideneamino]oxamide is sourced from PubChem (CID 90750013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).