N-(2-methoxyphenyl)-N'-[(E)-[4-oxo-4-(2-propan-2-ylanilino)butan-2-ylidene]amino]oxamide

C22H26N4O4 — CID 17385859

IUPACN-(2-methoxyphenyl)-N'-[(E)-[4-oxo-4-(2-propan-2-ylanilino)butan-2-ylidene]amino]oxamide
SMILESCOc1ccccc1NC(=O)C(=O)N/N=C(\C)CC(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C22H26N4O4/c1-14(2)16-9-5-6-10-17(16)23-20(27)13-15(3)25-26-22(29)21(28)24-18-11-7-8-12-19(18)30-4/h5-12,14H,13H2,1-4H3,(H,23,27)(H,24,28)(H,26,29)/b25-15+
InChIKeyGTFTXOINNOEZPC-MFKUBSTISA-N
MW410.47 g/mol
LogP3.28
Rot. Bonds7

About N-(2-methoxyphenyl)-N'-[(E)-[4-oxo-4-(2-propan-2-ylanilino)butan-2-ylidene]amino]oxamide

N-(2-methoxyphenyl)-N'-[(E)-[4-oxo-4-(2-propan-2-ylanilino)butan-2-ylidene]amino]oxamide (PubChem CID 17385859) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-N'-[(E)-[4-oxo-4-(2-propan-2-ylanilino)butan-2-ylidene]amino]oxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-N'-[(E)-[4-oxo-4-(2-propan-2-ylanilino)butan-2-ylidene]amino]oxamide
PubChem CID17385859
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC NameN-(2-methoxyphenyl)-N'-[(E)-[4-oxo-4-(2-propan-2-ylanilino)butan-2-ylidene]amino]oxamide
SMILESCOc1ccccc1NC(=O)C(=O)N/N=C(\C)CC(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C22H26N4O4/c1-14(2)16-9-5-6-10-17(16)23-20(27)13-15(3)25-26-22(29)21(28)24-18-11-7-8-12-19(18)30-4/h5-12,14H,13H2,1-4H3,(H,23,27)(H,24,28)(H,26,29)/b25-15+
InChIKeyGTFTXOINNOEZPC-MFKUBSTISA-N
XLogP3.28
TPSA108.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.28
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-oxo-4-(2-propan-2-ylanilino)butan-2-ylidene]amino]-N-propan-2-yloxamide
CID 4529616
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
N-[[4-(2-methoxyanilino)-4-oxobutan-2-ylidene]amino]naphthalene-2-carboxamide
CID 4115333
N'-[(Z)-[4-[(2-methoxyphenyl)methylamino]-4-oxobutan-2-ylidene]amino]-N-(2-methylphenyl)oxamide
CID 7241523
N'-[[4-[(2-methoxyphenyl)methylamino]-4-oxobutan-2-ylidene]amino]-N-(2-methylphenyl)oxamide
CID 78464347
N'-[(Z)-[4-(2-acetamidoanilino)-4-oxobutan-2-ylidene]amino]-N-phenyloxamide
CID 6259574
(2S)-2-(2-methoxyanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 35922425
N-(2-methoxy-5-methylphenyl)-N'-[(Z)-[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]oxamide
CID 6051954
N'-[[4-(2-bromoanilino)-4-oxobutan-2-ylidene]amino]-N-(3-methoxyphenyl)oxamide
CID 3682603
N-(2-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955532
2-(2-hydroxyphenoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 78781647

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-N'-[(E)-[4-oxo-4-(2-propan-2-ylanilino)butan-2-ylidene]amino]oxamide?
The IUPAC name of N-(2-methoxyphenyl)-N'-[(E)-[4-oxo-4-(2-propan-2-ylanilino)butan-2-ylidene]amino]oxamide (CID 17385859) is N-(2-methoxyphenyl)-N'-[(E)-[4-oxo-4-(2-propan-2-ylanilino)butan-2-ylidene]amino]oxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-N'-[(E)-[4-oxo-4-(2-propan-2-ylanilino)butan-2-ylidene]amino]oxamide?
The canonical SMILES for N-(2-methoxyphenyl)-N'-[(E)-[4-oxo-4-(2-propan-2-ylanilino)butan-2-ylidene]amino]oxamide is COc1ccccc1NC(=O)C(=O)N/N=C(\C)CC(=O)Nc1ccccc1C(C)C.
What is the InChIKey of N-(2-methoxyphenyl)-N'-[(E)-[4-oxo-4-(2-propan-2-ylanilino)butan-2-ylidene]amino]oxamide?
The InChIKey is GTFTXOINNOEZPC-MFKUBSTISA-N. The full InChI is InChI=1S/C22H26N4O4/c1-14(2)16-9-5-6-10-17(16)23-20(27)13-15(3)25-26-22(29)21(28)24-18-11-7-8-12-19(18)30-4/h5-12,14H,13H2,1-4H3,(H,23,27)(H,24,28)(H,26,29)/b25-15+.
What are the key properties of N-(2-methoxyphenyl)-N'-[(E)-[4-oxo-4-(2-propan-2-ylanilino)butan-2-ylidene]amino]oxamide?
N-(2-methoxyphenyl)-N'-[(E)-[4-oxo-4-(2-propan-2-ylanilino)butan-2-ylidene]amino]oxamide has a molecular weight of 410.47 g/mol, XLogP of 3.28, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-N'-[(E)-[4-oxo-4-(2-propan-2-ylanilino)butan-2-ylidene]amino]oxamide is sourced from PubChem (CID 17385859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).