N-[2-(3-methoxyphenyl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide

• ChemBase ID: 727656
• Molecular Formular: C22H35N3O2
• Molecular Mass: 373.5322
• Monoisotopic Mass: 373.27292738
• SMILES: N1(C(C(=O)NCCc2cc(OC)ccc2)CC2(C1)CCN(CC2)C)CCC
• Canonical SMILES: CCCN1CC2(CC1C(=O)NCCc1cccc(c1)OC)CCN(CC2)C
• InChI: InChI=1S/C22H35N3O2/c1-4-12-25-17-22(9-13-24(2)14-10-22)16-20(25)21(26)23-11-8-18-6-5-7-19(15-18)27-3/h5-7,15,20H,4,8-14,16-17H2,1-3H3,(H,23,26)
• InChIKey: DJQSNHHZKFYPAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(3-methoxyphenyl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
• IUPAC Traditional name: N-[2-(3-methoxyphenyl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
• Synonyms: N-[2-(3-methoxyphenyl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.710516
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -4.0883317
• LogD (pH = 7.4): -1.4942586
• Log P: 2.4235108
• Molar Refractivity: 110.5759 cm^3
• Polarizability: 43.278767 Å^3
• Polar Surface Area: 44.81 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.57
• LOG S: -4.12
• Polar Surface Area: 44.81 Å^2
• Rotatable Bonds: 7