N-cyclopropyl-3-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]propanamide

• ChemBase ID: 521594
• Molecular Formular: C21H26N2O3
• Molecular Mass: 354.44274
• Monoisotopic Mass: 354.1943427
• SMILES: N1(CC(c2cc3c(cc(cc3)OC)cc2)OCC1)CCC(=O)NC1CC1
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)C1OCCN(C1)CCC(=O)NC1CC1
• InChI: InChI=1S/C21H26N2O3/c1-25-19-7-4-15-12-17(3-2-16(15)13-19)20-14-23(10-11-26-20)9-8-21(24)22-18-5-6-18/h2-4,7,12-13,18,20H,5-6,8-11,14H2,1H3,(H,22,24)
• InChIKey: AVPLSRACPWUNFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-3-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]propanamide
• IUPAC Traditional name: N-cyclopropyl-3-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]propanamide
• Synonyms: N-cyclopropyl-3-[2-(6-methoxy-2-naphthyl)morpholin-4-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.776248
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.47922465
• LogD (pH = 7.4): 1.9710402
• Log P: 2.1850088
• Molar Refractivity: 100.9729 cm^3
• Polarizability: 40.736008 Å^3
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.2
• LOG S: -3.66
• Polar Surface Area: 50.8 Å^2
• Rotatable Bonds: 6