3-(2-oxopyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

• ChemBase ID: 769768
• Molecular Formular: C23H27N3O2
• Molecular Mass: 377.47938
• Monoisotopic Mass: 377.21032712
• SMILES: N(C1c2c(CCC1)cccc2)(C(=O)CCN1C(=O)CCC1)Cc1cnccc1
• Canonical SMILES: O=C(N(C1CCCc2c1cccc2)Cc1cccnc1)CCN1CCCC1=O
• InChI: InChI=1S/C23H27N3O2/c27-22-11-5-14-25(22)15-12-23(28)26(17-18-6-4-13-24-16-18)21-10-3-8-19-7-1-2-9-20(19)21/h1-2,4,6-7,9,13,16,21H,3,5,8,10-12,14-15,17H2
• InChIKey: OIHXDAITGICHTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-oxopyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
• IUPAC Traditional name: 3-(2-oxopyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
• Synonyms: 3-(2-oxopyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

CALCULATED PROPERTIES

JChem

• Polarizability: 41.99688 Å^3
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1472876
• LogD (pH = 7.4): 2.2185297
• Log P: 2.219539
• Molar Refractivity: 108.8043 cm^3

供应商提供(Chembridge)

• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 6
• H Acceptors: 3
• H Donor: 0
• Log P: 2.06
• LOG S: -2.41