N-(furan-2-ylmethyl)-N-[3-(2-methoxyphenyl)-3-[4-(propan-2-yloxy)phenyl]propyl]propanamide

• ChemBase ID: 190944
• Molecular Formular: C27H33NO4
• Molecular Mass: 435.55522
• Monoisotopic Mass: 435.24095854
• SMILES: C(c1c(OC)cccc1)(CCN(C(=O)CC)Cc1occc1)c1ccc(OC(C)C)cc1
• Canonical SMILES: CCC(=O)N(Cc1ccco1)CCC(c1ccccc1OC)c1ccc(cc1)OC(C)C
• InChI: InChI=1S/C27H33NO4/c1-5-27(29)28(19-23-9-8-18-31-23)17-16-24(25-10-6-7-11-26(25)30-4)21-12-14-22(15-13-21)32-20(2)3/h6-15,18,20,24H,5,16-17,19H2,1-4H3
• InChIKey: QDGBIHPKDJYEOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)-N-[3-(2-methoxyphenyl)-3-[4-(propan-2-yloxy)phenyl]propyl]propanamide
• IUPAC Traditional name: N-(furan-2-ylmethyl)-N-[3-(4-isopropoxyphenyl)-3-(2-methoxyphenyl)propyl]propanamide

Database IDs

• PubChem SID: 164246854
• PubChem CID: 3768366

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.2388854
• LogD (pH = 7.4): 5.238886
• Log P: 5.238886
• Molar Refractivity: 126.5957 cm^3
• Polarizability: 49.193798 Å^3
• Polar Surface Area: 51.91 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds