(4aS,8aR)-N-cyclohexyl-1-(3-methoxypropyl)-2-oxo-decahydro-1,6-naphthyridine-6-carboxamide

• ChemBase ID: 856509
• Molecular Formular: C19H33N3O3
• Molecular Mass: 351.48362
• Monoisotopic Mass: 351.25219193
• SMILES: N1([C@H]2[C@H](CN(C(=O)NC3CCCCC3)CC2)CCC1=O)CCCOC
• Canonical SMILES: COCCCN1C(=O)CC[C@@H]2[C@H]1CCN(C2)C(=O)NC1CCCCC1
• InChI: InChI=1S/C19H33N3O3/c1-25-13-5-11-22-17-10-12-21(14-15(17)8-9-18(22)23)19(24)20-16-6-3-2-4-7-16/h15-17H,2-14H2,1H3,(H,20,24)/t15-,17+/m0/s1
• InChIKey: ZLJKIOWTUBMLEX-DOTOQJQBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4aS,8aR)-N-cyclohexyl-1-(3-methoxypropyl)-2-oxo-decahydro-1,6-naphthyridine-6-carboxamide
• IUPAC Traditional name: (4aS,8aR)-N-cyclohexyl-1-(3-methoxypropyl)-2-oxo-hexahydro-3H-1,6-naphthyridine-6-carboxamide
• Synonyms: (4aS*,8aR*)-N-cyclohexyl-1-(3-methoxypropyl)-2-oxooctahydro-1,6-naphthyridine-6(2H)-carboxamide

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 15.314347
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.6447125
• LogD (pH = 7.4): 0.64471436
• Log P: 0.6447144
• Molar Refractivity: 97.1182 cm^3
• Polarizability: 37.80395 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 5
• H Acceptors: 3
• H Donor: 1
• Log P: 2.18
• LOG S: -3.62