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

C18H19N3O — CID 109035241

IUPACN-(3-cyanophenyl)-3-(2,4-dimethylanilino)propanamide
SMILESCc1ccc(NCCC(=O)Nc2cccc(C#N)c2)c(C)c1
InChIInChI=1S/C18H19N3O/c1-13-6-7-17(14(2)10-13)20-9-8-18(22)21-16-5-3-4-15(11-16)12-19/h3-7,10-11,20H,8-9H2,1-2H3,(H,21,22)
InChIKeyDGAHPUQRJKHWHY-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.62
Rot. Bonds5

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

N-(3-cyanophenyl)-3-(2,4-dimethylanilino)propanamide (PubChem CID 109035241) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-(2,4-dimethylanilino)propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-(2,4-dimethylanilino)propanamide
PubChem CID109035241
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-(3-cyanophenyl)-3-(2,4-dimethylanilino)propanamide
SMILESCc1ccc(NCCC(=O)Nc2cccc(C#N)c2)c(C)c1
InChIInChI=1S/C18H19N3O/c1-13-6-7-17(14(2)10-13)20-9-8-18(22)21-16-5-3-4-15(11-16)12-19/h3-7,10-11,20H,8-9H2,1-2H3,(H,21,22)
InChIKeyDGAHPUQRJKHWHY-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-(4-cyanophenyl)-3-(2,4-dimethylanilino)propanamide
CID 109035242
N-(3-cyanophenyl)-3-(2,3-dimethylanilino)propanamide
CID 109036090
N'-(3-cyanophenyl)-N-(2,4-dimethylphenyl)oxamide
CID 108986817
3-(tert-butylamino)-N-(3-cyanophenyl)propanamide
CID 60716477
N-(3-cyanophenyl)-2-(2-fluoro-4-methylanilino)acetamide
CID 9100932
3-(4-cyanoanilino)-N-(3-methylphenyl)propanamide
CID 109034224
N-(3-cyanophenyl)-2-(4-fluoro-2-methylanilino)acetamide
CID 9106150
N-(3-cyanophenyl)-3-(2,6-diethylanilino)propanamide
CID 109037144
N-(3-cyanophenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689054
2-(5-cyano-2-methylanilino)-N-(3-methylphenyl)acetamide
CID 62060345
N-(3-cyanophenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019404
3-(3-cyanoanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109040576

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-(2,4-dimethylanilino)propanamide?
The IUPAC name of N-(3-cyanophenyl)-3-(2,4-dimethylanilino)propanamide (CID 109035241) is N-(3-cyanophenyl)-3-(2,4-dimethylanilino)propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-(2,4-dimethylanilino)propanamide?
The canonical SMILES for N-(3-cyanophenyl)-3-(2,4-dimethylanilino)propanamide is Cc1ccc(NCCC(=O)Nc2cccc(C#N)c2)c(C)c1.
What is the InChIKey of N-(3-cyanophenyl)-3-(2,4-dimethylanilino)propanamide?
The InChIKey is DGAHPUQRJKHWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-13-6-7-17(14(2)10-13)20-9-8-18(22)21-16-5-3-4-15(11-16)12-19/h3-7,10-11,20H,8-9H2,1-2H3,(H,21,22).
What are the key properties of N-(3-cyanophenyl)-3-(2,4-dimethylanilino)propanamide?
N-(3-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-(3-cyanophenyl)-3-(2,4-dimethylanilino)propanamide is sourced from PubChem (CID 109035241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).