N-[3-(2H-1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-{[4-(propan-2-yloxy)phenyl]methyl}acetamide

• ChemBase ID: 192831
• Molecular Formular: C29H33NO5
• Molecular Mass: 475.57602
• Monoisotopic Mass: 475.23587316
• SMILES: C(c1cc2c(OCO2)cc1)(c1c(OC)cccc1)CCN(C(=O)C)Cc1ccc(OC(C)C)cc1
• Canonical SMILES: COc1ccccc1C(c1ccc2c(c1)OCO2)CCN(C(=O)C)Cc1ccc(cc1)OC(C)C
• InChI: InChI=1S/C29H33NO5/c1-20(2)35-24-12-9-22(10-13-24)18-30(21(3)31)16-15-25(26-7-5-6-8-27(26)32-4)23-11-14-28-29(17-23)34-19-33-28/h5-14,17,20,25H,15-16,18-19H2,1-4H3
• InChIKey: BJINKCRYMIKKCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2H-1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-{[4-(propan-2-yloxy)phenyl]methyl}acetamide
• IUPAC Traditional name: N-[3-(2H-1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-[(4-isopropoxyphenyl)methyl]acetamide

Database IDs

• PubChem SID: 164248741
• PubChem CID: 2920636

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 5.1013365
• LogD (pH = 7.4): 5.101337
• Log P: 5.101337
• Molar Refractivity: 135.3448 cm^3
• Polarizability: 52.9485 Å^3
• Polar Surface Area: 57.23 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds