N-(2-methoxy-5-methylphenyl)-N'-[(Z)-[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]oxamide

C23H28N4O4 — CID 6051954

IUPACN-(2-methoxy-5-methylphenyl)-N'-[(Z)-[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]oxamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)N/N=C(/C)CC(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C23H28N4O4/c1-13-7-8-19(31-6)18(11-13)24-22(29)23(30)27-26-17(5)12-20(28)25-21-15(3)9-14(2)10-16(21)4/h7-11H,12H2,1-6H3,(H,24,29)(H,25,28)(H,27,30)/b26-17-
InChIKeyLEUWRBPGXVASPV-ONUIUJJFSA-N
MW424.50 g/mol
LogP3.39
Rot. Bonds6

About N-(2-methoxy-5-methylphenyl)-N'-[(Z)-[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]oxamide

N-(2-methoxy-5-methylphenyl)-N'-[(Z)-[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]oxamide (PubChem CID 6051954) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-N'-[(Z)-[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]oxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-N'-[(Z)-[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]oxamide
PubChem CID6051954
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC NameN-(2-methoxy-5-methylphenyl)-N'-[(Z)-[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]oxamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)N/N=C(/C)CC(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C23H28N4O4/c1-13-7-8-19(31-6)18(11-13)24-22(29)23(30)27-26-17(5)12-20(28)25-21-15(3)9-14(2)10-16(21)4/h7-11H,12H2,1-6H3,(H,24,29)(H,25,28)(H,27,30)/b26-17-
InChIKeyLEUWRBPGXVASPV-ONUIUJJFSA-N
XLogP3.39
TPSA108.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(4-bromoanilino)-4-oxobutan-2-ylidene]amino]-N-(2-methoxy-5-methylphenyl)oxamide
CID 4600849
N-(4-methylphenyl)-N'-[(E)-[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]oxamide
CID 46502643
N-(2-methoxy-5-methylphenyl)-N'-[[4-oxo-4-(pyridin-3-ylamino)butan-2-ylidene]amino]oxamide
CID 15945768
N-(2-methoxy-5-methylphenyl)-N'-[(Z)-[4-oxo-4-(pyridin-3-ylamino)butan-2-ylidene]amino]oxamide
CID 20846970
3-[(2-methoxyacetyl)hydrazinylidene]-N-(2-methoxy-5-methylphenyl)butanamide
CID 542160
N-(2-methoxyethyl)-N'-[(E)-[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]oxamide
CID 46501561
N'-(2-chloro-4,6-dimethylphenyl)-N-(2-methoxy-5-methylphenyl)oxamide
CID 108515624
N'-[[4-(5-chloro-2-methoxyanilino)-4-oxobutan-2-ylidene]amino]-N-(2-methoxyphenyl)oxamide
CID 3302269
N'-[(Z)-[4-(2-acetamidoanilino)-4-oxobutan-2-ylidene]amino]-N-(2,5-dimethoxyphenyl)oxamide
CID 6064629
4-iodo-N-[[4-(2-methoxy-5-methylanilino)-4-oxobutan-2-ylidene]amino]benzamide
CID 3956236
N-[(E)-[4-(2-methoxy-5-methylanilino)-4-oxobutan-2-ylidene]amino]pyrazine-2-carboxamide
CID 17386398
2,4-dichloro-N-[[4-(2-methoxy-5-methylanilino)-4-oxobutan-2-ylidene]amino]benzamide
CID 3436532

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-N'-[(Z)-[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]oxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-N'-[(Z)-[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]oxamide (CID 6051954) is N-(2-methoxy-5-methylphenyl)-N'-[(Z)-[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]oxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-N'-[(Z)-[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]oxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-N'-[(Z)-[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]oxamide is COc1ccc(C)cc1NC(=O)C(=O)N/N=C(/C)CC(=O)Nc1c(C)cc(C)cc1C.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-N'-[(Z)-[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]oxamide?
The InChIKey is LEUWRBPGXVASPV-ONUIUJJFSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-13-7-8-19(31-6)18(11-13)24-22(29)23(30)27-26-17(5)12-20(28)25-21-15(3)9-14(2)10-16(21)4/h7-11H,12H2,1-6H3,(H,24,29)(H,25,28)(H,27,30)/b26-17-.
What are the key properties of N-(2-methoxy-5-methylphenyl)-N'-[(Z)-[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]oxamide?
N-(2-methoxy-5-methylphenyl)-N'-[(Z)-[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]oxamide has a molecular weight of 424.50 g/mol, XLogP of 3.39, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-N'-[(Z)-[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]oxamide is sourced from PubChem (CID 6051954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).