N-(4-cyanophenyl)-3-(2,4-dimethylanilino)propanamide

C18H19N3O — CID 109035242

IUPACN-(4-cyanophenyl)-3-(2,4-dimethylanilino)propanamide
SMILESCc1ccc(NCCC(=O)Nc2ccc(C#N)cc2)c(C)c1
InChIInChI=1S/C18H19N3O/c1-13-3-8-17(14(2)11-13)20-10-9-18(22)21-16-6-4-15(12-19)5-7-16/h3-8,11,20H,9-10H2,1-2H3,(H,21,22)
InChIKeyJIRMEUFEWNOWBP-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.62
Rot. Bonds5

About N-(4-cyanophenyl)-3-(2,4-dimethylanilino)propanamide

N-(4-cyanophenyl)-3-(2,4-dimethylanilino)propanamide (PubChem CID 109035242) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-(2,4-dimethylanilino)propanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-(2,4-dimethylanilino)propanamide
PubChem CID109035242
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-(4-cyanophenyl)-3-(2,4-dimethylanilino)propanamide
SMILESCc1ccc(NCCC(=O)Nc2ccc(C#N)cc2)c(C)c1
InChIInChI=1S/C18H19N3O/c1-13-3-8-17(14(2)11-13)20-10-9-18(22)21-16-6-4-15(12-19)5-7-16/h3-8,11,20H,9-10H2,1-2H3,(H,21,22)
InChIKeyJIRMEUFEWNOWBP-UHFFFAOYSA-N
XLogP3.62
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanophenyl)-3-(2,4-dimethylanilino)propanamide
CID 109035241
N-(4-cyanophenyl)-N'-(2,4-dimethylphenyl)oxamide
CID 108515416
3-(4-cyanoanilino)-N-(3-methylphenyl)propanamide
CID 109034224
3-(4-bromo-3-methylanilino)-N-(4-cyanophenyl)propanamide
CID 109042257
3-(2-tert-butylanilino)-N-(4-cyanophenyl)propanamide
CID 109037353
3-(4-acetamidoanilino)-N-(4-cyanophenyl)propanamide
CID 109041283
1-N-(4-cyanophenyl)-4-N-(2,4-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109049608
3-(2-cyanoanilino)-N-(4-cyanophenyl)propanamide
CID 109042814
3-(2,4-dimethylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 109035216
3-(N-acetyl-2,4-dimethylanilino)-N-(4-cyanophenyl)propanamide
CID 113124281
3-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]propanamide
CID 109041719
3-(3-bromo-4-methylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 109035100

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-(2,4-dimethylanilino)propanamide?
The IUPAC name of N-(4-cyanophenyl)-3-(2,4-dimethylanilino)propanamide (CID 109035242) is N-(4-cyanophenyl)-3-(2,4-dimethylanilino)propanamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-(2,4-dimethylanilino)propanamide?
The canonical SMILES for N-(4-cyanophenyl)-3-(2,4-dimethylanilino)propanamide is Cc1ccc(NCCC(=O)Nc2ccc(C#N)cc2)c(C)c1.
What is the InChIKey of N-(4-cyanophenyl)-3-(2,4-dimethylanilino)propanamide?
The InChIKey is JIRMEUFEWNOWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-13-3-8-17(14(2)11-13)20-10-9-18(22)21-16-6-4-15(12-19)5-7-16/h3-8,11,20H,9-10H2,1-2H3,(H,21,22).
What are the key properties of N-(4-cyanophenyl)-3-(2,4-dimethylanilino)propanamide?
N-(4-cyanophenyl)-3-(2,4-dimethylanilino)propanamide has a molecular weight of 293.37 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-(2,4-dimethylanilino)propanamide is sourced from PubChem (CID 109035242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).