N-[3-(2H-1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide

• ChemBase ID: 193075
• Molecular Formular: C30H29NO6
• Molecular Mass: 499.55436
• Monoisotopic Mass: 499.19948765
• SMILES: C(=O)(N(CCC(c1cc2c(OCO2)cc1)c1c(OC)cccc1)Cc1ccc(cc1)OC)c1occc1
• Canonical SMILES: COc1ccc(cc1)CN(C(=O)c1ccco1)CCC(c1ccccc1OC)c1ccc2c(c1)OCO2
• InChI: InChI=1S/C30H29NO6/c1-33-23-12-9-21(10-13-23)19-31(30(32)28-8-5-17-35-28)16-15-24(25-6-3-4-7-26(25)34-2)22-11-14-27-29(18-22)37-20-36-27/h3-14,17-18,24H,15-16,19-20H2,1-2H3
• InChIKey: KBDQAIBJUFKZBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2H-1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
• IUPAC Traditional name: N-[3-(2H-1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide

Database IDs

• PubChem SID: 164248985
• PubChem CID: 2920805

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 5.242375
• LogD (pH = 7.4): 5.242375
• Log P: 5.242375
• Molar Refractivity: 139.2388 cm^3
• Polarizability: 53.67487 Å^3
• Polar Surface Area: 70.37 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds