N-(2,4-dimethylphenyl)-3-(propylamino)propanamide

C14H22N2O — CID 109011557

IUPACN-(2,4-dimethylphenyl)-3-(propylamino)propanamide
SMILESCCCNCCC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C14H22N2O/c1-4-8-15-9-7-14(17)16-13-6-5-11(2)10-12(13)3/h5-6,10,15H,4,7-9H2,1-3H3,(H,16,17)
InChIKeyNWCWHRJVKMGQCM-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.63
Rot. Bonds6

About N-(2,4-dimethylphenyl)-3-(propylamino)propanamide

N-(2,4-dimethylphenyl)-3-(propylamino)propanamide (PubChem CID 109011557) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-(propylamino)propanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-(propylamino)propanamide
PubChem CID109011557
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-(2,4-dimethylphenyl)-3-(propylamino)propanamide
SMILESCCCNCCC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C14H22N2O/c1-4-8-15-9-7-14(17)16-13-6-5-11(2)10-12(13)3/h5-6,10,15H,4,7-9H2,1-3H3,(H,16,17)
InChIKeyNWCWHRJVKMGQCM-UHFFFAOYSA-N
XLogP2.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-butanoylhydrazinyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide
CID 5199281
N-[2-(2,4-dimethylanilino)-2-oxoethyl]butanamide
CID 47205616
3-amino-N-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 50944164
N-(2,4-dimethylphenyl)-4-methylpentanamide
CID 78775203
N-(2,4-dimethylphenyl)-3-(2-ethylanilino)propanamide
CID 109035079
N-(2,4-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109025394
N-(2,4-dimethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide
CID 109027685
N-(2,4-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 4986521
N-(2,5-dimethylphenyl)-3-(3-methylbutylamino)propanamide
CID 109032011
3-[2-(dimethylamino)ethylamino]-N-(2,5-dimethylphenyl)propanamide
CID 109016422
N'-(2,4-dimethylphenyl)-N-pentylpropanediamide
CID 108951896
N-(2,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide
CID 109027527

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-(propylamino)propanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-(propylamino)propanamide (CID 109011557) is N-(2,4-dimethylphenyl)-3-(propylamino)propanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-(propylamino)propanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-(propylamino)propanamide is CCCNCCC(=O)Nc1ccc(C)cc1C.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-(propylamino)propanamide?
The InChIKey is NWCWHRJVKMGQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-8-15-9-7-14(17)16-13-6-5-11(2)10-12(13)3/h5-6,10,15H,4,7-9H2,1-3H3,(H,16,17).
What are the key properties of N-(2,4-dimethylphenyl)-3-(propylamino)propanamide?
N-(2,4-dimethylphenyl)-3-(propylamino)propanamide has a molecular weight of 234.34 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-(propylamino)propanamide is sourced from PubChem (CID 109011557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).