N'-[(Z)-[4-(2-acetamidoanilino)-4-oxobutan-2-ylidene]amino]-N-phenyloxamide

C20H21N5O4 — CID 6259574

IUPACN'-[(Z)-[4-(2-acetamidoanilino)-4-oxobutan-2-ylidene]amino]-N-phenyloxamide
SMILESCC(=O)Nc1ccccc1NC(=O)C/C(C)=N\NC(=O)C(=O)Nc1ccccc1
InChIInChI=1S/C20H21N5O4/c1-13(24-25-20(29)19(28)22-15-8-4-3-5-9-15)12-18(27)23-17-11-7-6-10-16(17)21-14(2)26/h3-11H,12H2,1-2H3,(H,21,26)(H,22,28)(H,23,27)(H,25,29)/b24-13-
InChIKeyQWZWCZPBVWWZJG-CFRMEGHHSA-N
MW395.42 g/mol
LogP2.10
Rot. Bonds6

About N'-[(Z)-[4-(2-acetamidoanilino)-4-oxobutan-2-ylidene]amino]-N-phenyloxamide

N'-[(Z)-[4-(2-acetamidoanilino)-4-oxobutan-2-ylidene]amino]-N-phenyloxamide (PubChem CID 6259574) has the molecular formula C20H21N5O4 and a molecular weight of 395.42 g/mol. Its IUPAC name is N'-[(Z)-[4-(2-acetamidoanilino)-4-oxobutan-2-ylidene]amino]-N-phenyloxamide.

Molecular Properties

Compound NameN'-[(Z)-[4-(2-acetamidoanilino)-4-oxobutan-2-ylidene]amino]-N-phenyloxamide
PubChem CID6259574
Molecular FormulaC20H21N5O4
Molecular Weight395.42 g/mol
Exact Mass395.16
IUPAC NameN'-[(Z)-[4-(2-acetamidoanilino)-4-oxobutan-2-ylidene]amino]-N-phenyloxamide
SMILESCC(=O)Nc1ccccc1NC(=O)C/C(C)=N\NC(=O)C(=O)Nc1ccccc1
InChIInChI=1S/C20H21N5O4/c1-13(24-25-20(29)19(28)22-15-8-4-3-5-9-15)12-18(27)23-17-11-7-6-10-16(17)21-14(2)26/h3-11H,12H2,1-2H3,(H,21,26)(H,22,28)(H,23,27)(H,25,29)/b24-13-
InChIKeyQWZWCZPBVWWZJG-CFRMEGHHSA-N
XLogP2.10
TPSA128.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.10
H-Bond Donors ≤ 54
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-anilinoanilino)-4-oxobutan-2-ylidene]amino]-N-(4-ethylphenyl)oxamide
CID 3976663
(3E)-3-(carbamoylhydrazinylidene)-N-phenylbutanamide
CID 15855253
N'-[(Z)-[4-(2-acetamidoanilino)-4-oxobutan-2-ylidene]amino]-N-(2,5-dimethoxyphenyl)oxamide
CID 6064629
N'-[[4-(2-bromoanilino)-4-oxobutan-2-ylidene]amino]-N-(3-methoxyphenyl)oxamide
CID 3682603
(3Z)-3-(acetylhydrazinylidene)-N-(2-ethylphenyl)butanamide
CID 5371000
(3Z)-3-(carbamothioylhydrazinylidene)-N-phenylbutanamide
CID 5465204
N-(3-chloro-4-methylphenyl)-N'-[(E)-[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]oxamide
CID 171979042
(3Z)-N-(2-acetamidophenyl)-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide
CID 6298048
N'-[[4-oxo-4-(2-propan-2-ylanilino)butan-2-ylidene]amino]-N-propan-2-yloxamide
CID 4529616
N'-[[4-(4-fluoroanilino)-4-oxobutan-2-ylidene]amino]-N-(3-methylphenyl)oxamide
CID 567431
N-(4-methylphenyl)-N'-[[4-oxo-4-(pyridin-3-ylamino)butan-2-ylidene]amino]oxamide
CID 78460789
N-[(4-anilino-4-oxobutan-2-ylidene)amino]-2-hydroxybenzamide
CID 4287242

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[4-(2-acetamidoanilino)-4-oxobutan-2-ylidene]amino]-N-phenyloxamide?
The IUPAC name of N'-[(Z)-[4-(2-acetamidoanilino)-4-oxobutan-2-ylidene]amino]-N-phenyloxamide (CID 6259574) is N'-[(Z)-[4-(2-acetamidoanilino)-4-oxobutan-2-ylidene]amino]-N-phenyloxamide.
What is the SMILES notation for N'-[(Z)-[4-(2-acetamidoanilino)-4-oxobutan-2-ylidene]amino]-N-phenyloxamide?
The canonical SMILES for N'-[(Z)-[4-(2-acetamidoanilino)-4-oxobutan-2-ylidene]amino]-N-phenyloxamide is CC(=O)Nc1ccccc1NC(=O)C/C(C)=N\NC(=O)C(=O)Nc1ccccc1.
What is the InChIKey of N'-[(Z)-[4-(2-acetamidoanilino)-4-oxobutan-2-ylidene]amino]-N-phenyloxamide?
The InChIKey is QWZWCZPBVWWZJG-CFRMEGHHSA-N. The full InChI is InChI=1S/C20H21N5O4/c1-13(24-25-20(29)19(28)22-15-8-4-3-5-9-15)12-18(27)23-17-11-7-6-10-16(17)21-14(2)26/h3-11H,12H2,1-2H3,(H,21,26)(H,22,28)(H,23,27)(H,25,29)/b24-13-.
What are the key properties of N'-[(Z)-[4-(2-acetamidoanilino)-4-oxobutan-2-ylidene]amino]-N-phenyloxamide?
N'-[(Z)-[4-(2-acetamidoanilino)-4-oxobutan-2-ylidene]amino]-N-phenyloxamide has a molecular weight of 395.42 g/mol, XLogP of 2.10, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[4-(2-acetamidoanilino)-4-oxobutan-2-ylidene]amino]-N-phenyloxamide is sourced from PubChem (CID 6259574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).