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

• ChemBase ID: 512289
• Molecular Formular: C32H37NO5
• Molecular Mass: 515.63988
• Monoisotopic Mass: 515.26717329
• SMILES: N(C(=O)CCc1c(OC)cccc1)(Cc1cc(c(OC2Cc3c(C2)cccc3)cc1)OC)CC1OCCC1
• Canonical SMILES: COc1cc(ccc1OC1Cc2c(C1)cccc2)CN(C(=O)CCc1ccccc1OC)CC1CCCO1
• InChI: InChI=1S/C32H37NO5/c1-35-29-12-6-5-8-24(29)14-16-32(34)33(22-27-11-7-17-37-27)21-23-13-15-30(31(18-23)36-2)38-28-19-25-9-3-4-10-26(25)20-28/h3-6,8-10,12-13,15,18,27-28H,7,11,14,16-17,19-22H2,1-2H3
• InChIKey: FQINUYHBNKDHAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 5.4788103
• LogD (pH = 7.4): 5.4788103
• Log P: 5.4788103
• Molar Refractivity: 148.1865 cm^3
• Polarizability: 57.610123 Å^3
• Polar Surface Area: 57.23 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 5.53
• LOG S: -6.58
• Polar Surface Area: 57.23 Å^2
• Rotatable Bonds: 9