5-amino-1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]pentan-1-one

• ChemBase ID: 691550
• Molecular Formular: C20H26N2O3
• Molecular Mass: 342.43204
• Monoisotopic Mass: 342.1943427
• SMILES: N1(C(=O)CCCCN)CC(c2cc3c(cc(cc3)OC)cc2)OCC1
• Canonical SMILES: NCCCCC(=O)N1CCOC(C1)c1ccc2c(c1)ccc(c2)OC
• InChI: InChI=1S/C20H26N2O3/c1-24-18-8-7-15-12-17(6-5-16(15)13-18)19-14-22(10-11-25-19)20(23)4-2-3-9-21/h5-8,12-13,19H,2-4,9-11,14,21H2,1H3
• InChIKey: GJCCALVNXNCYPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]pentan-1-one
• IUPAC Traditional name: 5-amino-1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]pentan-1-one
• Synonyms: 5-[2-(6-methoxy-2-naphthyl)morpholin-4-yl]-5-oxopentan-1-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.1543509
• LogD (pH = 7.4): -0.5329557
• Log P: 1.8607218
• Molar Refractivity: 97.9451 cm^3
• Polarizability: 39.625942 Å^3
• Polar Surface Area: 64.79 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: 2.82
• LOG S: -4.11
• Polar Surface Area: 64.79 Å^2
• Rotatable Bonds: 6