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

• ChemBase ID: 499756
• Molecular Formular: C21H37N5O
• Molecular Mass: 375.55138
• Monoisotopic Mass: 375.29981083
• SMILES: C(=O)(C1N(CC2(C1)CCN(CC2)C)CCC)N(Cc1n(ccn1)C)CCC
• Canonical SMILES: CCCN1CC2(CC1C(=O)N(Cc1nccn1C)CCC)CCN(CC2)C
• InChI: InChI=1S/C21H37N5O/c1-5-10-25(16-19-22-9-14-24(19)4)20(27)18-15-21(17-26(18)11-6-2)7-12-23(3)13-8-21/h9,14,18H,5-8,10-13,15-17H2,1-4H3
• InChIKey: VOCPMQCDEPDMHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -5.315742
• LogD (pH = 7.4): -2.297575
• Log P: 1.5738997
• Molar Refractivity: 110.7055 cm^3
• Polarizability: 43.012684 Å^3
• Polar Surface Area: 44.61 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.81
• LOG S: -3.48
• Polar Surface Area: 44.61 Å^2
• Rotatable Bonds: 7