3-[1-(4-cyanophenyl)ethylamino]-N,N-dimethylpropanamide

C14H19N3O — CID 54934619

IUPAC3-[1-(4-cyanophenyl)ethylamino]-N,N-dimethylpropanamide
SMILESCC(NCCC(=O)N(C)C)c1ccc(C#N)cc1
InChIInChI=1S/C14H19N3O/c1-11(16-9-8-14(18)17(2)3)13-6-4-12(10-15)5-7-13/h4-7,11,16H,8-9H2,1-3H3
InChIKeyNWWXEOFJICDYRM-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.69
Rot. Bonds5

About 3-[1-(4-cyanophenyl)ethylamino]-N,N-dimethylpropanamide

3-[1-(4-cyanophenyl)ethylamino]-N,N-dimethylpropanamide (PubChem CID 54934619) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-[1-(4-cyanophenyl)ethylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[1-(4-cyanophenyl)ethylamino]-N,N-dimethylpropanamide
PubChem CID54934619
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-[1-(4-cyanophenyl)ethylamino]-N,N-dimethylpropanamide
SMILESCC(NCCC(=O)N(C)C)c1ccc(C#N)cc1
InChIInChI=1S/C14H19N3O/c1-11(16-9-8-14(18)17(2)3)13-6-4-12(10-15)5-7-13/h4-7,11,16H,8-9H2,1-3H3
InChIKeyNWWXEOFJICDYRM-UHFFFAOYSA-N
XLogP1.69
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(4-hydroxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 54935284
3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N,N-dimethylpropanamide
CID 81348231
3-[1-(4-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 54934759
N,N-dimethyl-3-[1-(4-methylsulfonylphenyl)ethylamino]propanamide
CID 60925806
4-[1-(4-cyanophenyl)ethylamino]-N-methylbutanamide
CID 63892264
tert-butyl N-[2-[1-(4-cyanophenyl)ethylamino]ethyl]-N-methylcarbamate
CID 103921202
3-[1-(4-cyanophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
CID 115905492
4-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzonitrile
CID 55097943
2-[1-(4-cyanophenyl)ethylamino]ethyl carbamate
CID 83209725
4-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]benzonitrile
CID 103921220
N,N-dimethyl-4-[[(1R)-1-(4-methylphenyl)ethyl]amino]butanamide
CID 81356992
2-[[(1R)-1-(4-cyanophenyl)ethyl]amino]ethyl butanoate
CID 174681096

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-cyanophenyl)ethylamino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[1-(4-cyanophenyl)ethylamino]-N,N-dimethylpropanamide (CID 54934619) is 3-[1-(4-cyanophenyl)ethylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[1-(4-cyanophenyl)ethylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[1-(4-cyanophenyl)ethylamino]-N,N-dimethylpropanamide is CC(NCCC(=O)N(C)C)c1ccc(C#N)cc1.
What is the InChIKey of 3-[1-(4-cyanophenyl)ethylamino]-N,N-dimethylpropanamide?
The InChIKey is NWWXEOFJICDYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11(16-9-8-14(18)17(2)3)13-6-4-12(10-15)5-7-13/h4-7,11,16H,8-9H2,1-3H3.
What are the key properties of 3-[1-(4-cyanophenyl)ethylamino]-N,N-dimethylpropanamide?
3-[1-(4-cyanophenyl)ethylamino]-N,N-dimethylpropanamide has a molecular weight of 245.33 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-cyanophenyl)ethylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 54934619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).