N,N'-bis[1-(4-methylphenyl)ethylideneamino]oxamide

C20H22N4O2 — CID 2831844

IUPACN,N'-bis[1-(4-methylphenyl)ethylideneamino]oxamide
SMILESCC(=NNC(=O)C(=O)NN=C(C)c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C20H22N4O2/c1-13-5-9-17(10-6-13)15(3)21-23-19(25)20(26)24-22-16(4)18-11-7-14(2)8-12-18/h5-12H,1-4H3,(H,23,25)(H,24,26)
InChIKeyXDLPREXJMOOEAH-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.68
Rot. Bonds4

About N,N'-bis[1-(4-methylphenyl)ethylideneamino]oxamide

N,N'-bis[1-(4-methylphenyl)ethylideneamino]oxamide (PubChem CID 2831844) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N,N'-bis[1-(4-methylphenyl)ethylideneamino]oxamide.

Molecular Properties

Compound NameN,N'-bis[1-(4-methylphenyl)ethylideneamino]oxamide
PubChem CID2831844
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN,N'-bis[1-(4-methylphenyl)ethylideneamino]oxamide
SMILESCC(=NNC(=O)C(=O)NN=C(C)c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C20H22N4O2/c1-13-5-9-17(10-6-13)15(3)21-23-19(25)20(26)24-22-16(4)18-11-7-14(2)8-12-18/h5-12H,1-4H3,(H,23,25)(H,24,26)
InChIKeyXDLPREXJMOOEAH-UHFFFAOYSA-N
XLogP2.68
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-1-(4-aminophenyl)ethylideneamino]-4-methylbenzamide
CID 6041987
N-(4-methoxyphenyl)-N'-[1-(4-methylphenyl)ethylideneamino]oxamide
CID 3377445
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide
CID 136661545
2-methyl-1-N,1-N'-bis[(E)-1-(4-methylphenyl)ethylideneamino]prop-1-ene-1,1-diamine
CID 166987269
N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]oxamide
CID 4100154
3,5-dihydroxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
CID 5406605
N'-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-N-(4-methylphenyl)oxamide
CID 9156010
N'-[(Z)-1-(4-butylphenyl)ethylideneamino]-N-(4-methylphenyl)oxamide
CID 9180162
3,4,5-trihydroxy-N-[1-(4-methylphenyl)ethylideneamino]benzamide
CID 5009394
6-methyl-N-[(E)-1-(4-methylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 45100248
N-[1-(4-methylphenyl)ethylideneamino]furan-2-carboxamide
CID 5087593
N'-[(E)-1-(4-hydroxyphenyl)ethylideneamino]oxamide
CID 135765562

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[1-(4-methylphenyl)ethylideneamino]oxamide?
The IUPAC name of N,N'-bis[1-(4-methylphenyl)ethylideneamino]oxamide (CID 2831844) is N,N'-bis[1-(4-methylphenyl)ethylideneamino]oxamide.
What is the SMILES notation for N,N'-bis[1-(4-methylphenyl)ethylideneamino]oxamide?
The canonical SMILES for N,N'-bis[1-(4-methylphenyl)ethylideneamino]oxamide is CC(=NNC(=O)C(=O)NN=C(C)c1ccc(C)cc1)c1ccc(C)cc1.
What is the InChIKey of N,N'-bis[1-(4-methylphenyl)ethylideneamino]oxamide?
The InChIKey is XDLPREXJMOOEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13-5-9-17(10-6-13)15(3)21-23-19(25)20(26)24-22-16(4)18-11-7-14(2)8-12-18/h5-12H,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N,N'-bis[1-(4-methylphenyl)ethylideneamino]oxamide?
N,N'-bis[1-(4-methylphenyl)ethylideneamino]oxamide has a molecular weight of 350.42 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[1-(4-methylphenyl)ethylideneamino]oxamide is sourced from PubChem (CID 2831844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).