4-[(1-cyclohexylpropan-2-yl)amino]-N,N-dimethylbutanamide

• ChemBase ID: 859835
• Molecular Formular: C15H30N2O
• Molecular Mass: 254.4115
• Monoisotopic Mass: 254.23581359
• SMILES: C(=O)(N(C)C)CCCNC(CC1CCCCC1)C
• Canonical SMILES: CC(CC1CCCCC1)NCCCC(=O)N(C)C
• InChI: InChI=1S/C15H30N2O/c1-13(12-14-8-5-4-6-9-14)16-11-7-10-15(18)17(2)3/h13-14,16H,4-12H2,1-3H3
• InChIKey: ADYGRVSQDKAWMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(1-cyclohexylpropan-2-yl)amino]-N,N-dimethylbutanamide
• IUPAC Traditional name: 4-[(1-cyclohexylpropan-2-yl)amino]-N,N-dimethylbutanamide
• Synonyms: 4-[(2-cyclohexyl-1-methylethyl)amino]-N,N-dimethylbutanamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.6
• LOG S: -3.28
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 7

JChem

• H Donor: 1
• LogD (pH = 5.5): -0.88828874
• LogD (pH = 7.4): -0.60724264
• Log P: 2.3486614
• Molar Refractivity: 76.6898 cm^3
• Polarizability: 30.370062 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 2