4-[(2-hydroxyethyl)(methyl)amino]-N-[(1r,4r)-4-methoxycyclohexyl]benzamide

• ChemBase ID: 631794
• Molecular Formular: C17H26N2O3
• Molecular Mass: 306.39994
• Monoisotopic Mass: 306.1943427
• SMILES: C(=O)(N[C@H]1CC[C@@H](CC1)OC)c1ccc(N(CCO)C)cc1
• Canonical SMILES: OCCN(c1ccc(cc1)C(=O)N[C@@H]1CC[C@H](CC1)OC)C
• InChI: InChI=1S/C17H26N2O3/c1-19(11-12-20)15-7-3-13(4-8-15)17(21)18-14-5-9-16(22-2)10-6-14/h3-4,7-8,14,16,20H,5-6,9-12H2,1-2H3,(H,18,21)/t14-,16-
• InChIKey: BGAHZJQJJNFAOD-KOMQPUFPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(2-hydroxyethyl)(methyl)amino]-N-[(1r,4r)-4-methoxycyclohexyl]benzamide
• IUPAC Traditional name: 4-[(2-hydroxyethyl)(methyl)amino]-N-[(1r,4r)-4-methoxycyclohexyl]benzamide
• Synonyms: 4-[(2-hydroxyethyl)(methyl)amino]-N-(trans-4-methoxycyclohexyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.373316
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.5210841
• LogD (pH = 7.4): 1.5211813
• Log P: 1.5211825
• Molar Refractivity: 88.1889 cm^3
• Polarizability: 33.3023 Å^3
• Polar Surface Area: 61.8 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.51
• LOG S: -2.72
• Polar Surface Area: 61.8 Å^2
• Rotatable Bonds: 6