N-{[1-(4-methoxyphenyl)cyclopentyl]methyl}-2-[4-(propan-2-yl)morpholin-2-yl]acetamide

• ChemBase ID: 611750
• Molecular Formular: C22H34N2O3
• Molecular Mass: 374.51696
• Monoisotopic Mass: 374.25694296
• SMILES: N1(CC(CC(=O)NCC2(c3ccc(cc3)OC)CCCC2)OCC1)C(C)C
• Canonical SMILES: COc1ccc(cc1)C1(CCCC1)CNC(=O)CC1OCCN(C1)C(C)C
• InChI: InChI=1S/C22H34N2O3/c1-17(2)24-12-13-27-20(15-24)14-21(25)23-16-22(10-4-5-11-22)18-6-8-19(26-3)9-7-18/h6-9,17,20H,4-5,10-16H2,1-3H3,(H,23,25)
• InChIKey: QAKYVDBFUODONB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[1-(4-methoxyphenyl)cyclopentyl]methyl}-2-[4-(propan-2-yl)morpholin-2-yl]acetamide
• IUPAC Traditional name: 2-(4-isopropylmorpholin-2-yl)-N-{[1-(4-methoxyphenyl)cyclopentyl]methyl}acetamide
• Synonyms: 2-(4-isopropylmorpholin-2-yl)-N-{[1-(4-methoxyphenyl)cyclopentyl]methyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.851925
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.8871974
• LogD (pH = 7.4): 2.556678
• Log P: 2.9603968
• Molar Refractivity: 107.5034 cm^3
• Polarizability: 42.43626 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: 2.97
• LOG S: -4.47
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 7