N-[(3-methoxy-2-propoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

• ChemBase ID: 474859
• Molecular Formular: C20H31N3O3
• Molecular Mass: 361.47844
• Monoisotopic Mass: 361.23654187
• SMILES: N1C(C(=O)NCc2c(c(OC)ccc2)OCCC)CC2(C1)CCNCC2
• Canonical SMILES: CCCOc1c(CNC(=O)C2NCC3(C2)CCNCC3)cccc1OC
• InChI: InChI=1S/C20H31N3O3/c1-3-11-26-18-15(5-4-6-17(18)25-2)13-22-19(24)16-12-20(14-23-16)7-9-21-10-8-20/h4-6,16,21,23H,3,7-14H2,1-2H3,(H,22,24)
• InChIKey: ZSJZPNGOAAJQRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-methoxy-2-propoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
• IUPAC Traditional name: N-[(3-methoxy-2-propoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
• Synonyms: N-(3-methoxy-2-propoxybenzyl)-2,8-diazaspiro[4.5]decane-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.256597
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -5.229665
• LogD (pH = 7.4): -3.9397788
• Log P: 1.2110825
• Molar Refractivity: 101.6947 cm^3
• Polarizability: 40.263844 Å^3
• Polar Surface Area: 71.62 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: 1.28
• LOG S: -2.93
• Polar Surface Area: 71.62 Å^2
• Rotatable Bonds: 7