7-[(2,3-dimethoxyphenyl)methyl]-N-ethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide

• ChemBase ID: 544689
• Molecular Formular: C20H29N3O4
• Molecular Mass: 375.46196
• Monoisotopic Mass: 375.21580642
• SMILES: C12(C(=O)N(Cc3c(c(OC)ccc3)OC)CCC2)CN(C(=O)NCC)CC1
• Canonical SMILES: CCNC(=O)N1CCC2(C1)CCCN(C2=O)Cc1cccc(c1OC)OC
• InChI: InChI=1S/C20H29N3O4/c1-4-21-19(25)23-12-10-20(14-23)9-6-11-22(18(20)24)13-15-7-5-8-16(26-2)17(15)27-3/h5,7-8H,4,6,9-14H2,1-3H3,(H,21,25)
• InChIKey: AWTQDAFZFTUPRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(2,3-dimethoxyphenyl)methyl]-N-ethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
• IUPAC Traditional name: 7-[(2,3-dimethoxyphenyl)methyl]-N-ethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
• Synonyms: 7-(2,3-dimethoxybenzyl)-N-ethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.959216
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.0250416
• LogD (pH = 7.4): 1.0250419
• Log P: 1.0250419
• Molar Refractivity: 102.7332 cm^3
• Polarizability: 39.583366 Å^3
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.43
• LOG S: -3.96
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 2