2-(3,4-dicyanoanilino)-N-(2-methylbutan-2-yl)propanamide

C16H20N4O — CID 107789327

IUPAC2-(3,4-dicyanoanilino)-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Nc1ccc(C#N)c(C#N)c1
InChIInChI=1S/C16H20N4O/c1-5-16(3,4)20-15(21)11(2)19-14-7-6-12(9-17)13(8-14)10-18/h6-8,11,19H,5H2,1-4H3,(H,20,21)
InChIKeyWAMQOVZCFLBVHH-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.54
Rot. Bonds5

About 2-(3,4-dicyanoanilino)-N-(2-methylbutan-2-yl)propanamide

2-(3,4-dicyanoanilino)-N-(2-methylbutan-2-yl)propanamide (PubChem CID 107789327) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(3,4-dicyanoanilino)-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-(3,4-dicyanoanilino)-N-(2-methylbutan-2-yl)propanamide
PubChem CID107789327
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-(3,4-dicyanoanilino)-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Nc1ccc(C#N)c(C#N)c1
InChIInChI=1S/C16H20N4O/c1-5-16(3,4)20-15(21)11(2)19-14-7-6-12(9-17)13(8-14)10-18/h6-8,11,19H,5H2,1-4H3,(H,20,21)
InChIKeyWAMQOVZCFLBVHH-UHFFFAOYSA-N
XLogP2.54
TPSA88.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dicyanoanilino)-N-pentan-3-ylpropanamide
CID 107789169
2-(3,4-dimethylanilino)-N-(2-methylbutan-2-yl)propanamide
CID 43112841
2-[4-(2-cyanophenoxy)anilino]-N-(2-methylbutan-2-yl)propanamide
CID 47486344
2-(3,4-dicyanoanilino)-N-(ethylcarbamoyl)propanamide
CID 107789245
4-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]benzamide
CID 43112980
2-[4-(dimethylamino)anilino]-N-(2-methylbutan-2-yl)propanamide
CID 43617105
2-(3,4-dicyanoanilino)-N,N-dimethylpropanamide
CID 114001769
(2R)-2-(4-acetamido-3-methoxyanilino)-N-(2-methylbutan-2-yl)propanamide
CID 94641742
2-(3-cyano-4-nitroanilino)-N-propylpropanamide
CID 115500237
2-(3-chloro-4-cyanoanilino)-N-pentan-2-ylpropanamide
CID 43348095
2-cyano-N-(3,4-dicyanophenyl)-2-methylbutanamide
CID 107790753
2-(3-bromo-4-cyanoanilino)-N-cyclopropylpropanamide
CID 107276659

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dicyanoanilino)-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-(3,4-dicyanoanilino)-N-(2-methylbutan-2-yl)propanamide (CID 107789327) is 2-(3,4-dicyanoanilino)-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-(3,4-dicyanoanilino)-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-(3,4-dicyanoanilino)-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)Nc1ccc(C#N)c(C#N)c1.
What is the InChIKey of 2-(3,4-dicyanoanilino)-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is WAMQOVZCFLBVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-5-16(3,4)20-15(21)11(2)19-14-7-6-12(9-17)13(8-14)10-18/h6-8,11,19H,5H2,1-4H3,(H,20,21).
What are the key properties of 2-(3,4-dicyanoanilino)-N-(2-methylbutan-2-yl)propanamide?
2-(3,4-dicyanoanilino)-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 284.36 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dicyanoanilino)-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 107789327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).