N-(2,6-dimethylphenyl)-3-(propylamino)propanamide

C14H22N2O — CID 59981693

IUPACN-(2,6-dimethylphenyl)-3-(propylamino)propanamide
SMILESCCCNCCC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C14H22N2O/c1-4-9-15-10-8-13(17)16-14-11(2)6-5-7-12(14)3/h5-7,15H,4,8-10H2,1-3H3,(H,16,17)
InChIKeyGENFLNMMGUCACA-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.63
Rot. Bonds6

About N-(2,6-dimethylphenyl)-3-(propylamino)propanamide

N-(2,6-dimethylphenyl)-3-(propylamino)propanamide (PubChem CID 59981693) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-3-(propylamino)propanamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-3-(propylamino)propanamide
PubChem CID59981693
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-(2,6-dimethylphenyl)-3-(propylamino)propanamide
SMILESCCCNCCC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C14H22N2O/c1-4-9-15-10-8-13(17)16-14-11(2)6-5-7-12(14)3/h5-7,15H,4,8-10H2,1-3H3,(H,16,17)
InChIKeyGENFLNMMGUCACA-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

N'-(2,6-dimethylphenyl)-N-propylbutanediamide
CID 71979821
3-(2,6-dimethylanilino)-N-(2,6-dimethylphenyl)propanamide
CID 109035764
N-(2,6-dimethylphenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019316
N-(2,6-dimethylphenyl)tetradecanamide
CID 54789598
3-[2-(dimethylamino)ethylamino]-N-(2-ethyl-6-methylphenyl)propanamide
CID 109016429
N-(2,6-dimethylphenyl)-3-hydroxypropanamide
CID 82112001
N-(2,6-dimethylphenyl)-3-(propan-2-ylamino)propanamide
CID 54924858
N-[3-(2,6-dimethylanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 18155095
3-(2,6-dichloroanilino)-N-(2,6-dimethylphenyl)propanamide
CID 109035835
N-(2-methyl-6-propan-2-ylphenyl)-2-(propylamino)acetamide
CID 60648439
3-[2-(cyclohexen-1-yl)ethylamino]-N-(2,6-dimethylphenyl)propanamide
CID 109014890
N-(2,4-dimethylphenyl)-3-(propylamino)propanamide
CID 109011557

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-3-(propylamino)propanamide?
The IUPAC name of N-(2,6-dimethylphenyl)-3-(propylamino)propanamide (CID 59981693) is N-(2,6-dimethylphenyl)-3-(propylamino)propanamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-3-(propylamino)propanamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-3-(propylamino)propanamide is CCCNCCC(=O)Nc1c(C)cccc1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-3-(propylamino)propanamide?
The InChIKey is GENFLNMMGUCACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-9-15-10-8-13(17)16-14-11(2)6-5-7-12(14)3/h5-7,15H,4,8-10H2,1-3H3,(H,16,17).
What are the key properties of N-(2,6-dimethylphenyl)-3-(propylamino)propanamide?
N-(2,6-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-(2,6-dimethylphenyl)-3-(propylamino)propanamide is sourced from PubChem (CID 59981693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).