N'-[(E)-(4-tert-butylphenyl)methylideneamino]-N-(2-methylphenyl)oxamide

C20H23N3O2 — CID 5348423

IUPACN'-[(E)-(4-tert-butylphenyl)methylideneamino]-N-(2-methylphenyl)oxamide
SMILESCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H23N3O2/c1-14-7-5-6-8-17(14)22-18(24)19(25)23-21-13-15-9-11-16(12-10-15)20(2,3)4/h5-13H,1-4H3,(H,22,24)(H,23,25)/b21-13+
InChIKeyNMCROJBHTSAISB-FYJGNVAPSA-N
MW337.42 g/mol
LogP3.38
Rot. Bonds3

About N'-[(E)-(4-tert-butylphenyl)methylideneamino]-N-(2-methylphenyl)oxamide

N'-[(E)-(4-tert-butylphenyl)methylideneamino]-N-(2-methylphenyl)oxamide (PubChem CID 5348423) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N'-[(E)-(4-tert-butylphenyl)methylideneamino]-N-(2-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-(4-tert-butylphenyl)methylideneamino]-N-(2-methylphenyl)oxamide
PubChem CID5348423
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN'-[(E)-(4-tert-butylphenyl)methylideneamino]-N-(2-methylphenyl)oxamide
SMILESCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H23N3O2/c1-14-7-5-6-8-17(14)22-18(24)19(25)23-21-13-15-9-11-16(12-10-15)20(2,3)4/h5-13H,1-4H3,(H,22,24)(H,23,25)/b21-13+
InChIKeyNMCROJBHTSAISB-FYJGNVAPSA-N
XLogP3.38
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.38
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'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide
CID 126181865
N-(2-methylphenyl)-N'-[(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 4637853
[4-[(E)-[[2-(2-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 51060942
1-(2-methylphenyl)-3-[(E)-(4-methylphenyl)methylideneamino]urea
CID 118673276
N-(2-bromophenyl)-N'-[(Z)-(4-methylphenyl)methylideneamino]oxamide
CID 6273720
N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-(2-methylphenyl)oxamide
CID 135813958
N'-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide
CID 4107522
N'-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide
CID 94832973
N-(2,3-dimethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide
CID 4620336
N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)oxamide
CID 135756956
1-[(Z)-(4-chlorophenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 5420635
methyl 4-[[2-[(2Z)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]-2-oxoacetyl]amino]benzoate
CID 133240897

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(4-tert-butylphenyl)methylideneamino]-N-(2-methylphenyl)oxamide?
The IUPAC name of N'-[(E)-(4-tert-butylphenyl)methylideneamino]-N-(2-methylphenyl)oxamide (CID 5348423) is N'-[(E)-(4-tert-butylphenyl)methylideneamino]-N-(2-methylphenyl)oxamide.
What is the SMILES notation for N'-[(E)-(4-tert-butylphenyl)methylideneamino]-N-(2-methylphenyl)oxamide?
The canonical SMILES for N'-[(E)-(4-tert-butylphenyl)methylideneamino]-N-(2-methylphenyl)oxamide is Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N'-[(E)-(4-tert-butylphenyl)methylideneamino]-N-(2-methylphenyl)oxamide?
The InChIKey is NMCROJBHTSAISB-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-7-5-6-8-17(14)22-18(24)19(25)23-21-13-15-9-11-16(12-10-15)20(2,3)4/h5-13H,1-4H3,(H,22,24)(H,23,25)/b21-13+.
What are the key properties of N'-[(E)-(4-tert-butylphenyl)methylideneamino]-N-(2-methylphenyl)oxamide?
N'-[(E)-(4-tert-butylphenyl)methylideneamino]-N-(2-methylphenyl)oxamide has a molecular weight of 337.42 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(4-tert-butylphenyl)methylideneamino]-N-(2-methylphenyl)oxamide is sourced from PubChem (CID 5348423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).