3-{2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl}-N,N-dimethylpropanamide

• ChemBase ID: 682726
• Molecular Formular: C23H35N3O
• Molecular Mass: 369.5435
• Monoisotopic Mass: 369.27801276
• SMILES: N1(C2CC2)CC(CC2(C1)CCN(CCC(=O)N(C)C)CC2)c1ccccc1
• Canonical SMILES: O=C(N(C)C)CCN1CCC2(CC1)CN(CC(C2)c1ccccc1)C1CC1
• InChI: InChI=1S/C23H35N3O/c1-24(2)22(27)10-13-25-14-11-23(12-15-25)16-20(19-6-4-3-5-7-19)17-26(18-23)21-8-9-21/h3-7,20-21H,8-18H2,1-2H3
• InChIKey: SQPNRAVRMJUTGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl}-N,N-dimethylpropanamide
• IUPAC Traditional name: 3-{2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl}-N,N-dimethylpropanamide
• Synonyms: 3-(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undec-9-yl)-N,N-dimethylpropanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -4.2960343
• LogD (pH = 7.4): -1.568793
• Log P: 2.34636
• Molar Refractivity: 111.7021 cm^3
• Polarizability: 43.65293 Å^3
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.87
• LOG S: -4.34
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 5