N-(2,3-dihydro-1H-inden-2-yl)-4-[(4-methoxy-3-methylphenyl)methyl]morpholine-2-carboxamide

• ChemBase ID: 480294
• Molecular Formular: C23H28N2O3
• Molecular Mass: 380.48002
• Monoisotopic Mass: 380.20999277
• SMILES: C(=O)(C1CN(Cc2cc(c(cc2)OC)C)CCO1)NC1Cc2c(C1)cccc2
• Canonical SMILES: COc1ccc(cc1C)CN1CCOC(C1)C(=O)NC1Cc2c(C1)cccc2
• InChI: InChI=1S/C23H28N2O3/c1-16-11-17(7-8-21(16)27-2)14-25-9-10-28-22(15-25)23(26)24-20-12-18-5-3-4-6-19(18)13-20/h3-8,11,20,22H,9-10,12-15H2,1-2H3,(H,24,26)
• InChIKey: RSMXMVRAZLTXRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,3-dihydro-1H-inden-2-yl)-4-[(4-methoxy-3-methylphenyl)methyl]morpholine-2-carboxamide
• IUPAC Traditional name: N-(2,3-dihydro-1H-inden-2-yl)-4-[(4-methoxy-3-methylphenyl)methyl]morpholine-2-carboxamide
• Synonyms: N-(2,3-dihydro-1H-inden-2-yl)-4-(4-methoxy-3-methylbenzyl)-2-morpholinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.003569
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.0758388
• LogD (pH = 7.4): 3.1973667
• Log P: 3.2713552
• Molar Refractivity: 110.0758 cm^3
• Polarizability: 42.74365 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.86
• LOG S: -5.27
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 5