N-benzyl-N-butyl-2,8-diazaspiro[4.5]decane-3-carboxamide

• ChemBase ID: 466764
• Molecular Formular: C20H31N3O
• Molecular Mass: 329.47964
• Monoisotopic Mass: 329.24671263
• SMILES: C(=O)(C1NCC2(C1)CCNCC2)N(Cc1ccccc1)CCCC
• Canonical SMILES: CCCCN(C(=O)C1NCC2(C1)CCNCC2)Cc1ccccc1
• InChI: InChI=1S/C20H31N3O/c1-2-3-13-23(15-17-7-5-4-6-8-17)19(24)18-14-20(16-22-18)9-11-21-12-10-20/h4-8,18,21-22H,2-3,9-16H2,1H3
• InChIKey: KAOQATAIYATTNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-butyl-2,8-diazaspiro[4.5]decane-3-carboxamide
• IUPAC Traditional name: N-benzyl-N-butyl-2,8-diazaspiro[4.5]decane-3-carboxamide
• Synonyms: N-benzyl-N-butyl-2,8-diazaspiro[4.5]decane-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.248452
• LogD (pH = 7.4): -2.9858363
• Log P: 2.1946697
• Molar Refractivity: 98.266 cm^3
• Polarizability: 38.93027 Å^3
• Polar Surface Area: 44.37 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.36
• LOG S: -3.62
• Polar Surface Area: 44.37 Å^2
• Rotatable Bonds: 6