N-[2-(cyclohex-1-en-1-yl)ethyl]-N-[(4-methoxyphenyl)methyl]-2-(morpholin-3-yl)acetamide

• ChemBase ID: 406728
• Molecular Formular: C22H32N2O3
• Molecular Mass: 372.50108
• Monoisotopic Mass: 372.24129289
• SMILES: C(=O)(CC1NCCOC1)N(Cc1ccc(cc1)OC)CCC1=CCCCC1
• Canonical SMILES: COc1ccc(cc1)CN(C(=O)CC1COCCN1)CCC1=CCCCC1
• InChI: InChI=1S/C22H32N2O3/c1-26-21-9-7-19(8-10-21)16-24(13-11-18-5-3-2-4-6-18)22(25)15-20-17-27-14-12-23-20/h5,7-10,20,23H,2-4,6,11-17H2,1H3
• InChIKey: FZNQWIHHOQZMQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(cyclohex-1-en-1-yl)ethyl]-N-[(4-methoxyphenyl)methyl]-2-(morpholin-3-yl)acetamide
• IUPAC Traditional name: N-[2-(cyclohex-1-en-1-yl)ethyl]-N-[(4-methoxyphenyl)methyl]-2-(morpholin-3-yl)acetamide
• Synonyms: N-(2-cyclohex-1-en-1-ylethyl)-N-(4-methoxybenzyl)-2-morpholin-3-ylacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.3572928
• LogD (pH = 7.4): 2.073805
• Log P: 2.6459143
• Molar Refractivity: 108.1865 cm^3
• Polarizability: 42.194595 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.79
• LOG S: -4.3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 8