N-[2-(2-ethyl-1H-imidazol-1-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide

• ChemBase ID: 751940
• Molecular Formular: C20H35N5O
• Molecular Mass: 361.5248
• Monoisotopic Mass: 361.28416077
• SMILES: N1(C(C(=O)NCCn2c(ncc2)CC)CC2(C1)CCN(CC2)C)CCC
• Canonical SMILES: CCCN1CC2(CC1C(=O)NCCn1ccnc1CC)CCN(CC2)C
• InChI: InChI=1S/C20H35N5O/c1-4-10-25-16-20(6-11-23(3)12-7-20)15-17(25)19(26)22-9-14-24-13-8-21-18(24)5-2/h8,13,17H,4-7,9-12,14-16H2,1-3H3,(H,22,26)
• InChIKey: SNQBFVITJAGYRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2-ethyl-1H-imidazol-1-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
• IUPAC Traditional name: N-[2-(2-ethylimidazol-1-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
• Synonyms: N-[2-(2-ethyl-1H-imidazol-1-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.698363
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -6.144182
• LogD (pH = 7.4): -2.7255301
• Log P: 1.2985752
• Molar Refractivity: 105.7532 cm^3
• Polarizability: 41.174553 Å^3
• Polar Surface Area: 53.4 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: 0.97
• LOG S: -2.66
• Polar Surface Area: 53.4 Å^2
• Rotatable Bonds: 7