N-{[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl}-N-(oxolan-2-ylmethyl)-3-(2-oxopyrrolidin-1-yl)benzamide

• ChemBase ID: 556567
• Molecular Formular: C33H36N2O5
• Molecular Mass: 540.64934
• Monoisotopic Mass: 540.26242226
• SMILES: N1(C(=O)CCC1)c1cc(C(=O)N(Cc2cc(c(OC3Cc4c(C3)cccc4)cc2)OC)CC2OCCC2)ccc1
• Canonical SMILES: COc1cc(ccc1OC1Cc2c(C1)cccc2)CN(C(=O)c1cccc(c1)N1CCCC1=O)CC1CCCO1
• InChI: InChI=1S/C33H36N2O5/c1-38-31-17-23(13-14-30(31)40-29-19-24-7-2-3-8-25(24)20-29)21-34(22-28-11-6-16-39-28)33(37)26-9-4-10-27(18-26)35-15-5-12-32(35)36/h2-4,7-10,13-14,17-18,28-29H,5-6,11-12,15-16,19-22H2,1H3
• InChIKey: LOLVCXLNESUYBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl}-N-(oxolan-2-ylmethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
• IUPAC Traditional name: N-{[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl}-N-(oxolan-2-ylmethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
• Synonyms: N-[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxybenzyl]-3-(2-oxo-1-pyrrolidinyl)-N-(tetrahydro-2-furanylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.540527
• LogD (pH = 7.4): 4.5405273
• Log P: 4.5405273
• Molar Refractivity: 153.9451 cm^3
• Polarizability: 59.02406 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: 5.38
• LOG S: -6.96
• Polar Surface Area: 68.31 Å^2
• Rotatable Bonds: 8