N'-[(Z)-1-(4-butylphenyl)ethylideneamino]-N-(4-methylphenyl)oxamide

C21H25N3O2 — CID 9180162

IUPACN'-[(Z)-1-(4-butylphenyl)ethylideneamino]-N-(4-methylphenyl)oxamide
SMILESCCCCc1ccc(/C(C)=N\NC(=O)C(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C21H25N3O2/c1-4-5-6-17-9-11-18(12-10-17)16(3)23-24-21(26)20(25)22-19-13-7-15(2)8-14-19/h7-14H,4-6H2,1-3H3,(H,22,25)(H,24,26)/b23-16-
InChIKeyPQJJLPOHVDWJIX-KQWNVCNZSA-N
MW351.45 g/mol
LogP3.82
Rot. Bonds6

About N'-[(Z)-1-(4-butylphenyl)ethylideneamino]-N-(4-methylphenyl)oxamide

N'-[(Z)-1-(4-butylphenyl)ethylideneamino]-N-(4-methylphenyl)oxamide (PubChem CID 9180162) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N'-[(Z)-1-(4-butylphenyl)ethylideneamino]-N-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-1-(4-butylphenyl)ethylideneamino]-N-(4-methylphenyl)oxamide
PubChem CID9180162
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN'-[(Z)-1-(4-butylphenyl)ethylideneamino]-N-(4-methylphenyl)oxamide
SMILESCCCCc1ccc(/C(C)=N\NC(=O)C(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C21H25N3O2/c1-4-5-6-17-9-11-18(12-10-17)16(3)23-24-21(26)20(25)22-19-13-7-15(2)8-14-19/h7-14H,4-6H2,1-3H3,(H,22,25)(H,24,26)/b23-16-
InChIKeyPQJJLPOHVDWJIX-KQWNVCNZSA-N
XLogP3.82
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.82
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-(4-butylphenyl)-N'-[(Z)-(4-methylphenyl)methylideneamino]oxamide
CID 6068276
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
N-(4-methoxyphenyl)-N'-[1-(4-methylphenyl)ethylideneamino]oxamide
CID 3377445
N,N'-bis[1-(4-methylphenyl)ethylideneamino]oxamide
CID 2831844
[4-[N-[[2-(4-ethoxyanilino)-2-oxoacetyl]amino]-C-methylcarbonimidoyl]phenyl] 4-methylbenzoate
CID 5051283
N'-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-N-(4-methylphenyl)oxamide
CID 9156010
4-butyl-N-(4-methylphenyl)benzamide;prop-1-ene
CID 142028227
N'-(heptan-4-ylideneamino)-N-(4-methylphenyl)oxamide
CID 3102509
N-(4-methylphenyl)-N'-[(Z)-1-phenylhexylideneamino]oxamide
CID 9180166
N-(4-butylphenyl)-4-(4-methylphenoxy)benzamide
CID 16651108
N-(4-ethylphenyl)-N'-[(Z)-[4-(4-methylanilino)-4-oxobutan-2-ylidene]amino]oxamide
CID 6322510
N-[1-(4-butylphenyl)ethylideneamino]cyclopentanecarboxamide
CID 24818445

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-1-(4-butylphenyl)ethylideneamino]-N-(4-methylphenyl)oxamide?
The IUPAC name of N'-[(Z)-1-(4-butylphenyl)ethylideneamino]-N-(4-methylphenyl)oxamide (CID 9180162) is N'-[(Z)-1-(4-butylphenyl)ethylideneamino]-N-(4-methylphenyl)oxamide.
What is the SMILES notation for N'-[(Z)-1-(4-butylphenyl)ethylideneamino]-N-(4-methylphenyl)oxamide?
The canonical SMILES for N'-[(Z)-1-(4-butylphenyl)ethylideneamino]-N-(4-methylphenyl)oxamide is CCCCc1ccc(/C(C)=N\NC(=O)C(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of N'-[(Z)-1-(4-butylphenyl)ethylideneamino]-N-(4-methylphenyl)oxamide?
The InChIKey is PQJJLPOHVDWJIX-KQWNVCNZSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-4-5-6-17-9-11-18(12-10-17)16(3)23-24-21(26)20(25)22-19-13-7-15(2)8-14-19/h7-14H,4-6H2,1-3H3,(H,22,25)(H,24,26)/b23-16-.
What are the key properties of N'-[(Z)-1-(4-butylphenyl)ethylideneamino]-N-(4-methylphenyl)oxamide?
N'-[(Z)-1-(4-butylphenyl)ethylideneamino]-N-(4-methylphenyl)oxamide has a molecular weight of 351.45 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1-(4-butylphenyl)ethylideneamino]-N-(4-methylphenyl)oxamide is sourced from PubChem (CID 9180162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).