N-cyclopentyl-N-{[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]methyl}-4-(2-oxopyrrolidin-1-yl)benzamide

• ChemBase ID: 567356
• Molecular Formular: C30H38N2O5
• Molecular Mass: 506.63312
• Monoisotopic Mass: 506.27807233
• SMILES: C(=O)(N(Cc1cc(c(OCC2OCCCC2)cc1)OC)C1CCCC1)c1ccc(N2C(=O)CCC2)cc1
• Canonical SMILES: COc1cc(ccc1OCC1CCCCO1)CN(C(=O)c1ccc(cc1)N1CCCC1=O)C1CCCC1
• InChI: InChI=1S/C30H38N2O5/c1-35-28-19-22(11-16-27(28)37-21-26-9-4-5-18-36-26)20-32(24-7-2-3-8-24)30(34)23-12-14-25(15-13-23)31-17-6-10-29(31)33/h11-16,19,24,26H,2-10,17-18,20-21H2,1H3
• InChIKey: XKXFHSPKRIATLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-N-{[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]methyl}-4-(2-oxopyrrolidin-1-yl)benzamide
• IUPAC Traditional name: N-cyclopentyl-N-{[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]methyl}-4-(2-oxopyrrolidin-1-yl)benzamide
• Synonyms: N-cyclopentyl-N-[3-methoxy-4-(tetrahydro-2H-pyran-2-ylmethoxy)benzyl]-4-(2-oxo-1-pyrrolidinyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.227008
• LogD (pH = 7.4): 4.227008
• Log P: 4.227008
• Molar Refractivity: 142.6119 cm^3
• Polarizability: 55.11616 Å^3
• Polar Surface Area: 68.31 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 4.93
• LOG S: -5.65
• Polar Surface Area: 68.31 Å^2
• Rotatable Bonds: 8