N-{[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl}-N-(oxolan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzamide

• ChemBase ID: 340549
• Molecular Formular: C29H32N2O6
• Molecular Mass: 504.57418
• Monoisotopic Mass: 504.22603675
• SMILES: N(C(=O)c1ccc(N2C(=O)CCC2)cc1)(Cc1cc(OCc2occc2)c(cc1)OC)CC1OCCC1
• Canonical SMILES: COc1ccc(cc1OCc1ccco1)CN(C(=O)c1ccc(cc1)N1CCCC1=O)CC1CCCO1
• InChI: InChI=1S/C29H32N2O6/c1-34-26-13-8-21(17-27(26)37-20-25-6-4-16-36-25)18-30(19-24-5-3-15-35-24)29(33)22-9-11-23(12-10-22)31-14-2-7-28(31)32/h4,6,8-13,16-17,24H,2-3,5,7,14-15,18-20H2,1H3
• InChIKey: MZEZAKCIAHSZDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl}-N-(oxolan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
• IUPAC Traditional name: N-{[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl}-N-(oxolan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
• Synonyms: N-[3-(2-furylmethoxy)-4-methoxybenzyl]-4-(2-oxo-1-pyrrolidinyl)-N-(tetrahydro-2-furanylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.212457
• LogD (pH = 7.4): 3.212457
• Log P: 3.212457
• Molar Refractivity: 138.6012 cm^3
• Polarizability: 53.10951 Å^3
• Polar Surface Area: 81.45 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 4.34
• LOG S: -4.95
• Polar Surface Area: 81.45 Å^2
• Rotatable Bonds: 9