N-({4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl}methyl)-3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)propanamide

• ChemBase ID: 479020
• Molecular Formular: C28H37NO6
• Molecular Mass: 483.59648
• Monoisotopic Mass: 483.26208791
• SMILES: N(C(=O)CCc1c(OC)cccc1)(Cc1cc(OCC2(COC2)C)c(cc1)OC)CC1OCCC1
• Canonical SMILES: COc1ccc(cc1OCC1(C)COC1)CN(C(=O)CCc1ccccc1OC)CC1CCCO1
• InChI: InChI=1S/C28H37NO6/c1-28(18-33-19-28)20-35-26-15-21(10-12-25(26)32-3)16-29(17-23-8-6-14-34-23)27(30)13-11-22-7-4-5-9-24(22)31-2/h4-5,7,9-10,12,15,23H,6,8,11,13-14,16-20H2,1-3H3
• InChIKey: ONVCZVKHHLZZDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl}methyl)-3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)propanamide
• IUPAC Traditional name: N-({4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl}methyl)-3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)propanamide
• Synonyms: N-{4-methoxy-3-[(3-methyl-3-oxetanyl)methoxy]benzyl}-3-(2-methoxyphenyl)-N-(tetrahydro-2-furanylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 3.5884857
• LogD (pH = 7.4): 3.588486
• Log P: 3.588486
• Molar Refractivity: 134.0207 cm^3
• Polarizability: 52.554012 Å^3
• Polar Surface Area: 66.46 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 3.2
• LOG S: -3.95
• Polar Surface Area: 66.46 Å^2
• Rotatable Bonds: 10