2-(cyclopropylmethyl)-9-[(3,5-dimethoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 743524
• Molecular Formular: C22H32N2O3
• Molecular Mass: 372.50108
• Monoisotopic Mass: 372.24129289
• SMILES: N1(C(=O)CCC2(C1)CCN(Cc1cc(cc(c1)OC)OC)CC2)CC1CC1
• Canonical SMILES: COc1cc(CN2CCC3(CC2)CCC(=O)N(C3)CC2CC2)cc(c1)OC
• InChI: InChI=1S/C22H32N2O3/c1-26-19-11-18(12-20(13-19)27-2)14-23-9-7-22(8-10-23)6-5-21(25)24(16-22)15-17-3-4-17/h11-13,17H,3-10,14-16H2,1-2H3
• InChIKey: RGPLFOQMESQCMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclopropylmethyl)-9-[(3,5-dimethoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-(cyclopropylmethyl)-9-[(3,5-dimethoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-(cyclopropylmethyl)-9-(3,5-dimethoxybenzyl)-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.5502971
• LogD (pH = 7.4): 1.211612
• Log P: 2.2644207
• Molar Refractivity: 106.6312 cm^3
• Polarizability: 41.6896 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.56
• LOG S: -4.1
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 6