N-(2-hydroxyethyl)-N'-[[4-(3-methylanilino)-4-oxobutan-2-ylidene]amino]oxamide

C15H20N4O4 — CID 4672582

IUPACN-(2-hydroxyethyl)-N'-[[4-(3-methylanilino)-4-oxobutan-2-ylidene]amino]oxamide
SMILESCC(CC(=O)Nc1cccc(C)c1)=NNC(=O)C(=O)NCCO
InChIInChI=1S/C15H20N4O4/c1-10-4-3-5-12(8-10)17-13(21)9-11(2)18-19-15(23)14(22)16-6-7-20/h3-5,8,20H,6-7,9H2,1-2H3,(H,16,22)(H,17,21)(H,19,23)
InChIKeyDGPWVRRAOLLINH-UHFFFAOYSA-N
MW320.35 g/mol
LogP-0.08
Rot. Bonds6

About N-(2-hydroxyethyl)-N'-[[4-(3-methylanilino)-4-oxobutan-2-ylidene]amino]oxamide

N-(2-hydroxyethyl)-N'-[[4-(3-methylanilino)-4-oxobutan-2-ylidene]amino]oxamide (PubChem CID 4672582) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N'-[[4-(3-methylanilino)-4-oxobutan-2-ylidene]amino]oxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N'-[[4-(3-methylanilino)-4-oxobutan-2-ylidene]amino]oxamide
PubChem CID4672582
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC NameN-(2-hydroxyethyl)-N'-[[4-(3-methylanilino)-4-oxobutan-2-ylidene]amino]oxamide
SMILESCC(CC(=O)Nc1cccc(C)c1)=NNC(=O)C(=O)NCCO
InChIInChI=1S/C15H20N4O4/c1-10-4-3-5-12(8-10)17-13(21)9-11(2)18-19-15(23)14(22)16-6-7-20/h3-5,8,20H,6-7,9H2,1-2H3,(H,16,22)(H,17,21)(H,19,23)
InChIKeyDGPWVRRAOLLINH-UHFFFAOYSA-N
XLogP-0.08
TPSA119.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 5-0.08
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-fluoroanilino)-4-oxobutan-2-ylidene]amino]-N-(3-methylphenyl)oxamide
CID 567431
N'-[(E)-[4-(3,4-dichloroanilino)-4-oxobutan-2-ylidene]amino]-N-(3-methylphenyl)oxamide
CID 51064207
N-(3-methylphenyl)-N'-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]oxamide
CID 3101293
N'-[[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-N-(3-methylphenyl)oxamide
CID 3101332
N-(2-hydroxyethyl)-N'-[(Z)-[4-oxo-4-(2-phenylethylamino)butan-2-ylidene]amino]oxamide
CID 92540253
N'-[(Z)-[4-[(5-chloro-2-pyridinyl)amino]-4-oxobutan-2-ylidene]amino]-N-(2-hydroxyethyl)oxamide
CID 98461954
(3Z)-3-[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]-N-(3-methylphenyl)butanamide
CID 6294058
(3E)-3-[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]-N-(3-methylphenyl)butanamide
CID 6322490
3-acetamido-N-(3-methylphenyl)propanamide
CID 47097671
4-hydroxy-N-(3-methylphenyl)butanamide
CID 11367548
N-(2-methoxyethyl)-N'-[(E)-[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]oxamide
CID 46501561
2-(4-hydroxybutylamino)-N-(3-methylphenyl)acetamide
CID 103820281

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N'-[[4-(3-methylanilino)-4-oxobutan-2-ylidene]amino]oxamide?
The IUPAC name of N-(2-hydroxyethyl)-N'-[[4-(3-methylanilino)-4-oxobutan-2-ylidene]amino]oxamide (CID 4672582) is N-(2-hydroxyethyl)-N'-[[4-(3-methylanilino)-4-oxobutan-2-ylidene]amino]oxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N'-[[4-(3-methylanilino)-4-oxobutan-2-ylidene]amino]oxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N'-[[4-(3-methylanilino)-4-oxobutan-2-ylidene]amino]oxamide is CC(CC(=O)Nc1cccc(C)c1)=NNC(=O)C(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-N'-[[4-(3-methylanilino)-4-oxobutan-2-ylidene]amino]oxamide?
The InChIKey is DGPWVRRAOLLINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4/c1-10-4-3-5-12(8-10)17-13(21)9-11(2)18-19-15(23)14(22)16-6-7-20/h3-5,8,20H,6-7,9H2,1-2H3,(H,16,22)(H,17,21)(H,19,23).
What are the key properties of N-(2-hydroxyethyl)-N'-[[4-(3-methylanilino)-4-oxobutan-2-ylidene]amino]oxamide?
N-(2-hydroxyethyl)-N'-[[4-(3-methylanilino)-4-oxobutan-2-ylidene]amino]oxamide has a molecular weight of 320.35 g/mol, XLogP of -0.08, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N'-[[4-(3-methylanilino)-4-oxobutan-2-ylidene]amino]oxamide is sourced from PubChem (CID 4672582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).