2-(3,4-dicyanoanilino)-N-pentan-3-ylpropanamide

C16H20N4O — CID 107789169

IUPAC2-(3,4-dicyanoanilino)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)Nc1ccc(C#N)c(C#N)c1
InChIInChI=1S/C16H20N4O/c1-4-14(5-2)20-16(21)11(3)19-15-7-6-12(9-17)13(8-15)10-18/h6-8,11,14,19H,4-5H2,1-3H3,(H,20,21)
InChIKeyJCBRZVWTZIXARJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.54
Rot. Bonds6

About 2-(3,4-dicyanoanilino)-N-pentan-3-ylpropanamide

2-(3,4-dicyanoanilino)-N-pentan-3-ylpropanamide (PubChem CID 107789169) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(3,4-dicyanoanilino)-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-(3,4-dicyanoanilino)-N-pentan-3-ylpropanamide
PubChem CID107789169
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-(3,4-dicyanoanilino)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)Nc1ccc(C#N)c(C#N)c1
InChIInChI=1S/C16H20N4O/c1-4-14(5-2)20-16(21)11(3)19-15-7-6-12(9-17)13(8-15)10-18/h6-8,11,14,19H,4-5H2,1-3H3,(H,20,21)
InChIKeyJCBRZVWTZIXARJ-UHFFFAOYSA-N
XLogP2.54
TPSA88.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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-(2-methylbutan-2-yl)propanamide
CID 107789327
2-(3,4-dicyanoanilino)-N-(ethylcarbamoyl)propanamide
CID 107789245
2-(5-bromo-2-cyanoanilino)-N-pentan-3-ylpropanamide
CID 107798095
2-[4-(cyanomethyl)anilino]-N-pentan-3-ylpropanamide
CID 60721067
2-(3-chloro-4-cyanoanilino)-N-pentan-2-ylpropanamide
CID 43348095
2-(3,4-dicyanoanilino)-N,N-dimethylpropanamide
CID 114001769
2-(3-fluoro-4-methylanilino)-N-pentan-3-ylpropanamide
CID 43113139
4-(1-methoxybutan-2-ylamino)benzene-1,2-dicarbonitrile
CID 107788180
(2S)-2-amino-N-(3,4-dicyanophenyl)butanamide
CID 107790511
2-(3-methylsulfanylanilino)-N-pentan-3-ylpropanamide
CID 43112908
2-(4-bromo-2-cyanophenoxy)-N-pentan-3-ylpropanamide
CID 83145925
2-(3-cyano-4-nitroanilino)-N-propylpropanamide
CID 115500237

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dicyanoanilino)-N-pentan-3-ylpropanamide?
The IUPAC name of 2-(3,4-dicyanoanilino)-N-pentan-3-ylpropanamide (CID 107789169) is 2-(3,4-dicyanoanilino)-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-(3,4-dicyanoanilino)-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-(3,4-dicyanoanilino)-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)Nc1ccc(C#N)c(C#N)c1.
What is the InChIKey of 2-(3,4-dicyanoanilino)-N-pentan-3-ylpropanamide?
The InChIKey is JCBRZVWTZIXARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-4-14(5-2)20-16(21)11(3)19-15-7-6-12(9-17)13(8-15)10-18/h6-8,11,14,19H,4-5H2,1-3H3,(H,20,21).
What are the key properties of 2-(3,4-dicyanoanilino)-N-pentan-3-ylpropanamide?
2-(3,4-dicyanoanilino)-N-pentan-3-ylpropanamide has a molecular weight of 284.36 g/mol, XLogP of 2.54, 6 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-pentan-3-ylpropanamide is sourced from PubChem (CID 107789169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).