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

• ChemBase ID: 580322
• Molecular Formular: C16H29N3O2
• Molecular Mass: 295.42036
• Monoisotopic Mass: 295.22597718
• SMILES: N1([C@H]2[C@H](CN(C(=O)N(C)C)CC2)CCC1=O)CCC(C)C
• Canonical SMILES: CC(CCN1C(=O)CC[C@@H]2[C@H]1CCN(C2)C(=O)N(C)C)C
• InChI: InChI=1S/C16H29N3O2/c1-12(2)7-10-19-14-8-9-18(16(21)17(3)4)11-13(14)5-6-15(19)20/h12-14H,5-11H2,1-4H3/t13-,14+/m0/s1
• InChIKey: LLMMXPQWSIHGLX-UONOGXRCSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.6670531
• LogD (pH = 7.4): 0.6670538
• Log P: 0.6670538
• Molar Refractivity: 83.514 cm^3
• Polarizability: 32.302937 Å^3
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.23
• LOG S: -3.26
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 3