N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-2-[4-(propan-2-yl)morpholin-2-yl]acetamide

• ChemBase ID: 465108
• Molecular Formular: C18H26N4O2
• Molecular Mass: 330.42464
• Monoisotopic Mass: 330.20557609
• SMILES: n1c([nH]c2c1cccc2)CCNC(=O)CC1CN(C(C)C)CCO1
• Canonical SMILES: O=C(CC1OCCN(C1)C(C)C)NCCc1nc2c([nH]1)cccc2
• InChI: InChI=1S/C18H26N4O2/c1-13(2)22-9-10-24-14(12-22)11-18(23)19-8-7-17-20-15-5-3-4-6-16(15)21-17/h3-6,13-14H,7-12H2,1-2H3,(H,19,23)(H,20,21)
• InChIKey: YJQQQKSYMZXOTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-2-[4-(propan-2-yl)morpholin-2-yl]acetamide
• IUPAC Traditional name: N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-2-(4-isopropylmorpholin-2-yl)acetamide
• Synonyms: N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-isopropylmorpholin-2-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.805788
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.0424482
• LogD (pH = 7.4): 0.84989446
• Log P: 1.257459
• Molar Refractivity: 92.9526 cm^3
• Polarizability: 37.60083 Å^3
• Polar Surface Area: 70.25 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.06
• LOG S: -2.52
• Polar Surface Area: 70.25 Å^2
• Rotatable Bonds: 6