N-(cyclohex-1-en-1-ylmethyl)-2-{4-[(4-methoxy-2,3-dimethylphenyl)methyl]morpholin-3-yl}acetamide

• ChemBase ID: 357546
• Molecular Formular: C23H34N2O3
• Molecular Mass: 386.52766
• Monoisotopic Mass: 386.25694296
• SMILES: N1(Cc2c(c(c(cc2)OC)C)C)C(CC(=O)NCC2=CCCCC2)COCC1
• Canonical SMILES: COc1ccc(c(c1C)C)CN1CCOCC1CC(=O)NCC1=CCCCC1
• InChI: InChI=1S/C23H34N2O3/c1-17-18(2)22(27-3)10-9-20(17)15-25-11-12-28-16-21(25)13-23(26)24-14-19-7-5-4-6-8-19/h7,9-10,21H,4-6,8,11-16H2,1-3H3,(H,24,26)
• InChIKey: JYIIELKSEHOLRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(cyclohex-1-en-1-ylmethyl)-2-{4-[(4-methoxy-2,3-dimethylphenyl)methyl]morpholin-3-yl}acetamide
• IUPAC Traditional name: N-(cyclohex-1-en-1-ylmethyl)-2-{4-[(4-methoxy-2,3-dimethylphenyl)methyl]morpholin-3-yl}acetamide
• Synonyms: N-(1-cyclohexen-1-ylmethyl)-2-[4-(4-methoxy-2,3-dimethylbenzyl)-3-morpholinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.710485
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.7728084
• LogD (pH = 7.4): 3.302105
• Log P: 3.5434678
• Molar Refractivity: 113.9119 cm^3
• Polarizability: 43.883095 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.47
• LOG S: -4.98
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 7