N-(3,4-dicyanophenyl)-2-methyl-3-(methylamino)propanamide

C13H14N4O — CID 107790450

IUPACN-(3,4-dicyanophenyl)-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)Nc1ccc(C#N)c(C#N)c1
InChIInChI=1S/C13H14N4O/c1-9(8-16-2)13(18)17-12-4-3-10(6-14)11(5-12)7-15/h3-5,9,16H,8H2,1-2H3,(H,17,18)
InChIKeyJWDNEOOPMZCGCH-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.22
Rot. Bonds4

About N-(3,4-dicyanophenyl)-2-methyl-3-(methylamino)propanamide

N-(3,4-dicyanophenyl)-2-methyl-3-(methylamino)propanamide (PubChem CID 107790450) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is N-(3,4-dicyanophenyl)-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-(3,4-dicyanophenyl)-2-methyl-3-(methylamino)propanamide
PubChem CID107790450
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC NameN-(3,4-dicyanophenyl)-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)Nc1ccc(C#N)c(C#N)c1
InChIInChI=1S/C13H14N4O/c1-9(8-16-2)13(18)17-12-4-3-10(6-14)11(5-12)7-15/h3-5,9,16H,8H2,1-2H3,(H,17,18)
InChIKeyJWDNEOOPMZCGCH-UHFFFAOYSA-N
XLogP1.22
TPSA88.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-3-cyanophenyl)-2-methyl-3-(methylamino)propanamide
CID 79196264
(2S)-2-amino-N-(3,4-dicyanophenyl)butanamide
CID 107790511
N-(3,4-dicyanophenyl)acetamide
CID 12938829
2-(aminomethyl)-N-(3,4-dicyanophenyl)butanamide
CID 114001896
3-bromo-N-(4-cyano-3-methylphenyl)-2-methylpropanamide
CID 163632628
N-(3,4-dichlorophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119670901
N-(3-fluoro-4-methoxyphenyl)-2-methyl-3-(methylamino)propanamide
CID 79196660
2-methyl-3-(methylamino)-N-[4-(methylcarbamoylamino)phenyl]propanamide
CID 79195690
2-chloro-5-[[2-methyl-3-(methylamino)propanoyl]amino]benzoic acid
CID 79195612
N-(3-bromo-4-fluorophenyl)-2-methyl-3-(methylamino)propanamide
CID 115738288
ethyl 3-(3,4-dicyanoanilino)-2-methylpropanoate
CID 107789170
2-acetamido-3-(3,4-dicyanoanilino)propanoic acid
CID 107789426

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dicyanophenyl)-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-(3,4-dicyanophenyl)-2-methyl-3-(methylamino)propanamide (CID 107790450) is N-(3,4-dicyanophenyl)-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-(3,4-dicyanophenyl)-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-(3,4-dicyanophenyl)-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)Nc1ccc(C#N)c(C#N)c1.
What is the InChIKey of N-(3,4-dicyanophenyl)-2-methyl-3-(methylamino)propanamide?
The InChIKey is JWDNEOOPMZCGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-9(8-16-2)13(18)17-12-4-3-10(6-14)11(5-12)7-15/h3-5,9,16H,8H2,1-2H3,(H,17,18).
What are the key properties of N-(3,4-dicyanophenyl)-2-methyl-3-(methylamino)propanamide?
N-(3,4-dicyanophenyl)-2-methyl-3-(methylamino)propanamide has a molecular weight of 242.28 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dicyanophenyl)-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 107790450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).