2-(dimethylamino)-2-(3-methylphenyl)-N,N-dipropylacetamide

• ChemBase ID: 710403
• Molecular Formular: C17H28N2O
• Molecular Mass: 276.41702
• Monoisotopic Mass: 276.22016353
• SMILES: C(=O)(C(c1cc(ccc1)C)N(C)C)N(CCC)CCC
• Canonical SMILES: CCCN(C(=O)C(c1cccc(c1)C)N(C)C)CCC
• InChI: InChI=1S/C17H28N2O/c1-6-11-19(12-7-2)17(20)16(18(4)5)15-10-8-9-14(3)13-15/h8-10,13,16H,6-7,11-12H2,1-5H3
• InChIKey: GLHHJDGANIPFCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)-2-(3-methylphenyl)-N,N-dipropylacetamide
• IUPAC Traditional name: 2-(dimethylamino)-2-(3-methylphenyl)-N,N-dipropylacetamide
• Synonyms: 2-(dimethylamino)-2-(3-methylphenyl)-N,N-dipropylacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.624627
• LogD (pH = 7.4): 3.2173445
• Log P: 3.5170739
• Molar Refractivity: 85.6326 cm^3
• Polarizability: 33.26313 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.88
• LOG S: -4.53
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 7