N-(3,5-dimethylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]oxamide

C20H23N3O2 — CID 4123133

IUPACN-(3,5-dimethylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]oxamide
SMILESCc1cc(C)cc(NC(=O)C(=O)NN=Cc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C20H23N3O2/c1-13(2)17-7-5-16(6-8-17)12-21-23-20(25)19(24)22-18-10-14(3)9-15(4)11-18/h5-13H,1-4H3,(H,22,24)(H,23,25)
InChIKeyMUCCOTGUOAHVSJ-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.52
Rot. Bonds4

About N-(3,5-dimethylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]oxamide

N-(3,5-dimethylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]oxamide (PubChem CID 4123133) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]oxamide
PubChem CID4123133
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-(3,5-dimethylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]oxamide
SMILESCc1cc(C)cc(NC(=O)C(=O)NN=Cc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C20H23N3O2/c1-13(2)17-7-5-16(6-8-17)12-21-23-20(25)19(24)22-18-10-14(3)9-15(4)11-18/h5-13H,1-4H3,(H,22,24)(H,23,25)
InChIKeyMUCCOTGUOAHVSJ-UHFFFAOYSA-N
XLogP3.52
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.52
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-(2-chlorophenyl)-N'-[(E)-(4-propan-2-ylphenyl)methylideneamino]oxamide
CID 46741746
N-(4-chloro-2-methylphenyl)-N'-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide
CID 6162635
N-(2,3-dichlorophenyl)-N'-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide
CID 92652543
N'-(benzylideneamino)-N-(3-methylphenyl)oxamide
CID 4143039
N-(3,5-dimethylphenyl)-N'-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxamide
CID 6108260
N'-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-N-(4-propan-2-ylphenyl)oxamide
CID 94846881
1-phenyl-3-[(Z)-(4-propan-2-ylphenyl)methylideneamino]urea
CID 5418172
4-[[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
CID 3825243
3-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]benzamide
CID 916412
N'-[(Z)-[4-[2-(3,5-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-prop-2-enoxyphenyl)oxamide
CID 126267432
2,6-dimethyl-3-N,5-N-bis[(4-propan-2-ylphenyl)methylideneamino]pyridine-3,5-dicarboxamide
CID 5111295
N',N'-diethyl-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide
CID 6391153

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]oxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]oxamide (CID 4123133) is N-(3,5-dimethylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]oxamide is Cc1cc(C)cc(NC(=O)C(=O)NN=Cc2ccc(C(C)C)cc2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]oxamide?
The InChIKey is MUCCOTGUOAHVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-13(2)17-7-5-16(6-8-17)12-21-23-20(25)19(24)22-18-10-14(3)9-15(4)11-18/h5-13H,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N-(3,5-dimethylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]oxamide?
N-(3,5-dimethylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]oxamide has a molecular weight of 337.42 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]oxamide is sourced from PubChem (CID 4123133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).