N-[3-(6-methyl-1,3-benzoxazol-2-yl)propyl]-2-[4-(propan-2-yl)morpholin-2-yl]acetamide

• ChemBase ID: 658372
• Molecular Formular: C20H29N3O3
• Molecular Mass: 359.46256
• Monoisotopic Mass: 359.2208918
• SMILES: n1c(oc2c1ccc(c2)C)CCCNC(=O)CC1CN(C(C)C)CCO1
• Canonical SMILES: O=C(CC1OCCN(C1)C(C)C)NCCCc1nc2c(o1)cc(cc2)C
• InChI: InChI=1S/C20H29N3O3/c1-14(2)23-9-10-25-16(13-23)12-19(24)21-8-4-5-20-22-17-7-6-15(3)11-18(17)26-20/h6-7,11,14,16H,4-5,8-10,12-13H2,1-3H3,(H,21,24)
• InChIKey: MLJMVSSUSFUEAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(6-methyl-1,3-benzoxazol-2-yl)propyl]-2-[4-(propan-2-yl)morpholin-2-yl]acetamide
• IUPAC Traditional name: 2-(4-isopropylmorpholin-2-yl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)propyl]acetamide
• Synonyms: 2-(4-isopropylmorpholin-2-yl)-N-[3-(6-methyl-1,3-benzoxazol-2-yl)propyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.668839
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.04670239
• LogD (pH = 7.4): 1.7161843
• Log P: 2.119903
• Molar Refractivity: 100.5034 cm^3
• Polarizability: 40.382893 Å^3
• Polar Surface Area: 67.6 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.07
• LOG S: -3.59
• Polar Surface Area: 67.6 Å^2
• Rotatable Bonds: 7