N-(2-cyanophenyl)-3-(N-ethylanilino)propanamide

C18H19N3O — CID 43824183

IUPACN-(2-cyanophenyl)-3-(N-ethylanilino)propanamide
SMILESCCN(CCC(=O)Nc1ccccc1C#N)c1ccccc1
InChIInChI=1S/C18H19N3O/c1-2-21(16-9-4-3-5-10-16)13-12-18(22)20-17-11-7-6-8-15(17)14-19/h3-11H,2,12-13H2,1H3,(H,20,22)
InChIKeyJURKZQNSKMBTAH-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.41
Rot. Bonds6

About N-(2-cyanophenyl)-3-(N-ethylanilino)propanamide

N-(2-cyanophenyl)-3-(N-ethylanilino)propanamide (PubChem CID 43824183) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(2-cyanophenyl)-3-(N-ethylanilino)propanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-3-(N-ethylanilino)propanamide
PubChem CID43824183
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-(2-cyanophenyl)-3-(N-ethylanilino)propanamide
SMILESCCN(CCC(=O)Nc1ccccc1C#N)c1ccccc1
InChIInChI=1S/C18H19N3O/c1-2-21(16-9-4-3-5-10-16)13-12-18(22)20-17-11-7-6-8-15(17)14-19/h3-11H,2,12-13H2,1H3,(H,20,22)
InChIKeyJURKZQNSKMBTAH-UHFFFAOYSA-N
XLogP3.41
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(2-cyanoanilino)-3-oxopropyl]-ethylamino]acetic acid
CID 61012302
N-(2-cyanophenyl)-3-[cyclopropyl(ethyl)amino]propanamide
CID 43264184
3-[acetyl(3-phenylpropyl)amino]-N-(2-cyanophenyl)propanamide
CID 113122330
N-(2-cyanophenyl)-3-[3-(dimethylamino)propyl-methylamino]propanamide
CID 63694009
3-[acetyl(butan-2-yl)amino]-N-(2-cyanophenyl)propanamide
CID 113116297
N-(2-cyanophenyl)-3-[methyl(2-methylbutyl)amino]propanamide
CID 43295810
N-(2-cyanophenyl)-3-hydroxypropanamide
CID 43165059
N-(2-cyanophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide
CID 107199658
N-(2,4-dichlorophenyl)-3-(N-ethylanilino)propanamide
CID 109036579
3-[acetyl(1-phenylethyl)amino]-N-(2-cyanophenyl)propanamide
CID 113119056
3-(N-acetyl-2,6-diethylanilino)-N-(2-cyanophenyl)propanamide
CID 113126234
3-[(4-bromophenyl)methyl-methylamino]-N-(2-cyanophenyl)propanamide
CID 55482813

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-3-(N-ethylanilino)propanamide?
The IUPAC name of N-(2-cyanophenyl)-3-(N-ethylanilino)propanamide (CID 43824183) is N-(2-cyanophenyl)-3-(N-ethylanilino)propanamide.
What is the SMILES notation for N-(2-cyanophenyl)-3-(N-ethylanilino)propanamide?
The canonical SMILES for N-(2-cyanophenyl)-3-(N-ethylanilino)propanamide is CCN(CCC(=O)Nc1ccccc1C#N)c1ccccc1.
What is the InChIKey of N-(2-cyanophenyl)-3-(N-ethylanilino)propanamide?
The InChIKey is JURKZQNSKMBTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-2-21(16-9-4-3-5-10-16)13-12-18(22)20-17-11-7-6-8-15(17)14-19/h3-11H,2,12-13H2,1H3,(H,20,22).
What are the key properties of N-(2-cyanophenyl)-3-(N-ethylanilino)propanamide?
N-(2-cyanophenyl)-3-(N-ethylanilino)propanamide has a molecular weight of 293.37 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-3-(N-ethylanilino)propanamide is sourced from PubChem (CID 43824183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).