3-methoxy-N-methyl-4-[(1-methylpiperidin-4-yl)oxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

• ChemBase ID: 326378
• Molecular Formular: C25H32N2O3
• Molecular Mass: 408.53318
• Monoisotopic Mass: 408.24129289
• SMILES: C(=O)(N(C1c2c(CCC1)cccc2)C)c1cc(c(OC2CCN(CC2)C)cc1)OC
• Canonical SMILES: COc1cc(ccc1OC1CCN(CC1)C)C(=O)N(C1CCCc2c1cccc2)C
• InChI: InChI=1S/C25H32N2O3/c1-26-15-13-20(14-16-26)30-23-12-11-19(17-24(23)29-3)25(28)27(2)22-10-6-8-18-7-4-5-9-21(18)22/h4-5,7,9,11-12,17,20,22H,6,8,10,13-16H2,1-3H3
• InChIKey: IGCWAKRGOUXWIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-N-methyl-4-[(1-methylpiperidin-4-yl)oxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
• IUPAC Traditional name: 3-methoxy-N-methyl-4-[(1-methylpiperidin-4-yl)oxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
• Synonyms: 3-methoxy-N-methyl-4-[(1-methyl-4-piperidinyl)oxy]-N-(1,2,3,4-tetrahydro-1-naphthalenyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.86638004
• LogD (pH = 7.4): 2.6260216
• Log P: 3.695968
• Molar Refractivity: 120.1017 cm^3
• Polarizability: 46.19556 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.55
• LOG S: -3.9
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 4