3-[1-(diethylamino)propylamino]-N-(2,6-dimethylphenyl)propanamide

C18H31N3O — CID 70385267

IUPAC3-[1-(diethylamino)propylamino]-N-(2,6-dimethylphenyl)propanamide
SMILESCCC(NCCC(=O)Nc1c(C)cccc1C)N(CC)CC
InChIInChI=1S/C18H31N3O/c1-6-16(21(7-2)8-3)19-13-12-17(22)20-18-14(4)10-9-11-15(18)5/h9-11,16,19H,6-8,12-13H2,1-5H3,(H,20,22)
InChIKeyYIKSZIZZDTYANQ-UHFFFAOYSA-N
MW305.47 g/mol
LogP3.30
Rot. Bonds9

About 3-[1-(diethylamino)propylamino]-N-(2,6-dimethylphenyl)propanamide

3-[1-(diethylamino)propylamino]-N-(2,6-dimethylphenyl)propanamide (PubChem CID 70385267) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is 3-[1-(diethylamino)propylamino]-N-(2,6-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[1-(diethylamino)propylamino]-N-(2,6-dimethylphenyl)propanamide
PubChem CID70385267
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC Name3-[1-(diethylamino)propylamino]-N-(2,6-dimethylphenyl)propanamide
SMILESCCC(NCCC(=O)Nc1c(C)cccc1C)N(CC)CC
InChIInChI=1S/C18H31N3O/c1-6-16(21(7-2)8-3)19-13-12-17(22)20-18-14(4)10-9-11-15(18)5/h9-11,16,19H,6-8,12-13H2,1-5H3,(H,20,22)
InChIKeyYIKSZIZZDTYANQ-UHFFFAOYSA-N
XLogP3.30
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dimethylphenyl)-3-(propan-2-ylamino)propanamide
CID 54924858
3-(2,6-dimethylanilino)-N-(2,6-dimethylphenyl)propanamide
CID 109035764
N-(2,6-dimethylphenyl)-3-(propylamino)propanamide
CID 59981693
N-(2-amino-6-methylphenyl)-2-[butan-2-yl(ethyl)amino]acetamide
CID 43376010
N-(2,6-dimethylphenyl)-3-hydroxypropanamide
CID 82112001
2-(butan-2-ylamino)-N-(2,6-dimethylphenyl)acetamide
CID 21430532
(2S)-2-(diethylamino)-N-(2,6-dimethylphenyl)propanamide
CID 7044016
N'-(2,6-dimethylphenyl)-N-propylbutanediamide
CID 71979821
bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride
CID 69335483
N-(2,6-dimethylphenyl)tetradecanamide
CID 54789598
CID 89442401
CID 89442401
3-(2,6-dichloroanilino)-N-(2,6-dimethylphenyl)propanamide
CID 109035835

Frequently Asked Questions

What is the IUPAC name of 3-[1-(diethylamino)propylamino]-N-(2,6-dimethylphenyl)propanamide?
The IUPAC name of 3-[1-(diethylamino)propylamino]-N-(2,6-dimethylphenyl)propanamide (CID 70385267) is 3-[1-(diethylamino)propylamino]-N-(2,6-dimethylphenyl)propanamide.
What is the SMILES notation for 3-[1-(diethylamino)propylamino]-N-(2,6-dimethylphenyl)propanamide?
The canonical SMILES for 3-[1-(diethylamino)propylamino]-N-(2,6-dimethylphenyl)propanamide is CCC(NCCC(=O)Nc1c(C)cccc1C)N(CC)CC.
What is the InChIKey of 3-[1-(diethylamino)propylamino]-N-(2,6-dimethylphenyl)propanamide?
The InChIKey is YIKSZIZZDTYANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O/c1-6-16(21(7-2)8-3)19-13-12-17(22)20-18-14(4)10-9-11-15(18)5/h9-11,16,19H,6-8,12-13H2,1-5H3,(H,20,22).
What are the key properties of 3-[1-(diethylamino)propylamino]-N-(2,6-dimethylphenyl)propanamide?
3-[1-(diethylamino)propylamino]-N-(2,6-dimethylphenyl)propanamide has a molecular weight of 305.47 g/mol, XLogP of 3.30, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(diethylamino)propylamino]-N-(2,6-dimethylphenyl)propanamide is sourced from PubChem (CID 70385267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).