N-(3-cyanophenyl)-3-(2,6-diethylanilino)propanamide

C20H23N3O — CID 109037144

IUPACN-(3-cyanophenyl)-3-(2,6-diethylanilino)propanamide
SMILESCCc1cccc(CC)c1NCCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C20H23N3O/c1-3-16-8-6-9-17(4-2)20(16)22-12-11-19(24)23-18-10-5-7-15(13-18)14-21/h5-10,13,22H,3-4,11-12H2,1-2H3,(H,23,24)
InChIKeyGJGOUZBFEYAKBX-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.12
Rot. Bonds7

About N-(3-cyanophenyl)-3-(2,6-diethylanilino)propanamide

N-(3-cyanophenyl)-3-(2,6-diethylanilino)propanamide (PubChem CID 109037144) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-(2,6-diethylanilino)propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-(2,6-diethylanilino)propanamide
PubChem CID109037144
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC NameN-(3-cyanophenyl)-3-(2,6-diethylanilino)propanamide
SMILESCCc1cccc(CC)c1NCCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C20H23N3O/c1-3-16-8-6-9-17(4-2)20(16)22-12-11-19(24)23-18-10-5-7-15(13-18)14-21/h5-10,13,22H,3-4,11-12H2,1-2H3,(H,23,24)
InChIKeyGJGOUZBFEYAKBX-UHFFFAOYSA-N
XLogP4.12
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(tert-butylamino)-N-(3-cyanophenyl)propanamide
CID 60716477
N-(3-cyanophenyl)-N'-(2,6-diethylphenyl)-2,2-dimethylpropanediamide
CID 108968587
N-(3-cyanophenyl)-3-(2,3-dimethylanilino)propanamide
CID 109036090
N-(3-cyanophenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019404
N-(3-cyanophenyl)-3-(2,4-dimethylanilino)propanamide
CID 109035241
3-(3-cyanoanilino)-N-(2,6-difluorophenyl)propanamide
CID 109042830
N-(3-cyanophenyl)octanamide
CID 4958584
3-(3-cyanoanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109040576
N-(3-cyanophenyl)-3-(3,4,5-trimethoxyanilino)propanamide
CID 109042534
3-(2,6-diethylanilino)-N-(4-methylphenyl)propanamide
CID 109034349
3-(3-cyanoanilino)-N-methylpropanamide
CID 62324196
N-(3-cyanophenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689054

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-(2,6-diethylanilino)propanamide?
The IUPAC name of N-(3-cyanophenyl)-3-(2,6-diethylanilino)propanamide (CID 109037144) is N-(3-cyanophenyl)-3-(2,6-diethylanilino)propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-(2,6-diethylanilino)propanamide?
The canonical SMILES for N-(3-cyanophenyl)-3-(2,6-diethylanilino)propanamide is CCc1cccc(CC)c1NCCC(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-3-(2,6-diethylanilino)propanamide?
The InChIKey is GJGOUZBFEYAKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-3-16-8-6-9-17(4-2)20(16)22-12-11-19(24)23-18-10-5-7-15(13-18)14-21/h5-10,13,22H,3-4,11-12H2,1-2H3,(H,23,24).
What are the key properties of N-(3-cyanophenyl)-3-(2,6-diethylanilino)propanamide?
N-(3-cyanophenyl)-3-(2,6-diethylanilino)propanamide has a molecular weight of 321.42 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-(2,6-diethylanilino)propanamide is sourced from PubChem (CID 109037144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).