N-cyclopropyl-N-({4-methoxy-3-[2-(pyridin-2-yl)ethoxy]phenyl}methyl)-3-(2-methoxyphenyl)propanamide

• ChemBase ID: 336782
• Molecular Formular: C28H32N2O4
• Molecular Mass: 460.56468
• Monoisotopic Mass: 460.23620751
• SMILES: N(C1CC1)(C(=O)CCc1c(OC)cccc1)Cc1cc(c(cc1)OC)OCCc1ncccc1
• Canonical SMILES: COc1ccc(cc1OCCc1ccccn1)CN(C(=O)CCc1ccccc1OC)C1CC1
• InChI: InChI=1S/C28H32N2O4/c1-32-25-9-4-3-7-22(25)11-15-28(31)30(24-12-13-24)20-21-10-14-26(33-2)27(19-21)34-18-16-23-8-5-6-17-29-23/h3-10,14,17,19,24H,11-13,15-16,18,20H2,1-2H3
• InChIKey: ADFJKHARKNSCSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-N-({4-methoxy-3-[2-(pyridin-2-yl)ethoxy]phenyl}methyl)-3-(2-methoxyphenyl)propanamide
• IUPAC Traditional name: N-cyclopropyl-N-({4-methoxy-3-[2-(pyridin-2-yl)ethoxy]phenyl}methyl)-3-(2-methoxyphenyl)propanamide
• Synonyms: N-cyclopropyl-3-(2-methoxyphenyl)-N-{4-methoxy-3-[2-(2-pyridinyl)ethoxy]benzyl}propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.0503335
• LogD (pH = 7.4): 4.235272
• Log P: 4.2382812
• Molar Refractivity: 131.4285 cm^3
• Polarizability: 51.30309 Å^3
• Polar Surface Area: 60.89 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.59
• LOG S: -5.24
• Polar Surface Area: 60.89 Å^2
• Rotatable Bonds: 10