N-({3-[(2-chloroprop-2-en-1-yl)oxy]-4-methoxyphenyl}methyl)-N-cyclopropyl-2-methoxybenzamide

• ChemBase ID: 834859
• Molecular Formular: C22H24ClNO4
• Molecular Mass: 401.88326
• Monoisotopic Mass: 401.13938593
• SMILES: C(=O)(N(C1CC1)Cc1cc(OCC(=C)Cl)c(cc1)OC)c1c(OC)cccc1
• Canonical SMILES: COc1ccc(cc1OCC(=C)Cl)CN(C(=O)c1ccccc1OC)C1CC1
• InChI: InChI=1S/C22H24ClNO4/c1-15(23)14-28-21-12-16(8-11-20(21)27-3)13-24(17-9-10-17)22(25)18-6-4-5-7-19(18)26-2/h4-8,11-12,17H,1,9-10,13-14H2,2-3H3
• InChIKey: QZWAGJMHWLIXGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({3-[(2-chloroprop-2-en-1-yl)oxy]-4-methoxyphenyl}methyl)-N-cyclopropyl-2-methoxybenzamide
• IUPAC Traditional name: N-({3-[(2-chloroprop-2-en-1-yl)oxy]-4-methoxyphenyl}methyl)-N-cyclopropyl-2-methoxybenzamide
• Synonyms: N-{3-[(2-chloro-2-propen-1-yl)oxy]-4-methoxybenzyl}-N-cyclopropyl-2-methoxybenzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.956275
• LogD (pH = 7.4): 3.956275
• Log P: 3.956275
• Molar Refractivity: 110.0221 cm^3
• Polarizability: 42.225372 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.4
• LOG S: -5.05
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 7