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

C18H19N3O — CID 109036090

IUPACN-(3-cyanophenyl)-3-(2,3-dimethylanilino)propanamide
SMILESCc1cccc(NCCC(=O)Nc2cccc(C#N)c2)c1C
InChIInChI=1S/C18H19N3O/c1-13-5-3-8-17(14(13)2)20-10-9-18(22)21-16-7-4-6-15(11-16)12-19/h3-8,11,20H,9-10H2,1-2H3,(H,21,22)
InChIKeyZMBKZISVTLUMPH-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.62
Rot. Bonds5

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

N-(3-cyanophenyl)-3-(2,3-dimethylanilino)propanamide (PubChem CID 109036090) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-(2,3-dimethylanilino)propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-(2,3-dimethylanilino)propanamide
PubChem CID109036090
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-(3-cyanophenyl)-3-(2,3-dimethylanilino)propanamide
SMILESCc1cccc(NCCC(=O)Nc2cccc(C#N)c2)c1C
InChIInChI=1S/C18H19N3O/c1-13-5-3-8-17(14(13)2)20-10-9-18(22)21-16-7-4-6-15(11-16)12-19/h3-8,11,20H,9-10H2,1-2H3,(H,21,22)
InChIKeyZMBKZISVTLUMPH-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)-N'-(2,3-dimethylphenyl)propanediamide
CID 108953919
N-(3-cyanophenyl)-3-(2,4-dimethylanilino)propanamide
CID 109035241
3-(tert-butylamino)-N-(3-cyanophenyl)propanamide
CID 60716477
N-(3-cyanophenyl)-3-(2,6-diethylanilino)propanamide
CID 109037144
N-(3-cyanophenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019404
3-(2-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide
CID 109036006
N-(3-cyanophenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689054
N-(3-acetamidophenyl)-3-(2-methylanilino)propanamide
CID 51149887
1-(3-cyanophenyl)-3-(2,3-dimethylphenyl)thiourea
CID 7941256
3-(3-cyanoanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109040576
N-(3-cyanophenyl)-3-(3,4,5-trimethoxyanilino)propanamide
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3-(3-cyanoanilino)-N-methylpropanamide
CID 62324196

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-(2,3-dimethylanilino)propanamide?
The IUPAC name of N-(3-cyanophenyl)-3-(2,3-dimethylanilino)propanamide (CID 109036090) is N-(3-cyanophenyl)-3-(2,3-dimethylanilino)propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-(2,3-dimethylanilino)propanamide?
The canonical SMILES for N-(3-cyanophenyl)-3-(2,3-dimethylanilino)propanamide is Cc1cccc(NCCC(=O)Nc2cccc(C#N)c2)c1C.
What is the InChIKey of N-(3-cyanophenyl)-3-(2,3-dimethylanilino)propanamide?
The InChIKey is ZMBKZISVTLUMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-13-5-3-8-17(14(13)2)20-10-9-18(22)21-16-7-4-6-15(11-16)12-19/h3-8,11,20H,9-10H2,1-2H3,(H,21,22).
What are the key properties of N-(3-cyanophenyl)-3-(2,3-dimethylanilino)propanamide?
N-(3-cyanophenyl)-3-(2,3-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-(2,3-dimethylanilino)propanamide is sourced from PubChem (CID 109036090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).