N-[3-(dimethylamino)propyl]-2,3,5,6-tetramethylbenzamide

• ChemBase ID: 688776
• Molecular Formular: C16H26N2O
• Molecular Mass: 262.39044
• Monoisotopic Mass: 262.20451346
• SMILES: c1(c(c(cc(c1C)C)C)C)C(=O)NCCCN(C)C
• Canonical SMILES: CN(CCCNC(=O)c1c(C)c(C)cc(c1C)C)C
• InChI: InChI=1S/C16H26N2O/c1-11-10-12(2)14(4)15(13(11)3)16(19)17-8-7-9-18(5)6/h10H,7-9H2,1-6H3,(H,17,19)
• InChIKey: KDTIHHVUJUHSFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(dimethylamino)propyl]-2,3,5,6-tetramethylbenzamide
• IUPAC Traditional name: N-[3-(dimethylamino)propyl]-2,3,5,6-tetramethylbenzamide
• Synonyms: N-[3-(dimethylamino)propyl]-2,3,5,6-tetramethylbenzamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.82
• LOG S: -3.52
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 5

JChem

• H Donor: 1
• LogD (pH = 5.5): -0.14399818
• LogD (pH = 7.4): 1.2872059
• Log P: 3.179852
• Molar Refractivity: 83.0824 cm^3
• Polarizability: 30.962257 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 15.774802
• H Acceptors: 2