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

• ChemBase ID: 190806
• Molecular Formular: C26H31NO4
• Molecular Mass: 421.52864
• Monoisotopic Mass: 421.22530848
• SMILES: C(c1c(OC)cccc1)(CCN(C(=O)C)Cc1occc1)c1ccc(OC(C)C)cc1
• Canonical SMILES: COc1ccccc1C(c1ccc(cc1)OC(C)C)CCN(C(=O)C)Cc1ccco1
• InChI: InChI=1S/C26H31NO4/c1-19(2)31-22-13-11-21(12-14-22)24(25-9-5-6-10-26(25)29-4)15-16-27(20(3)28)18-23-8-7-17-30-23/h5-14,17,19,24H,15-16,18H2,1-4H3
• InChIKey: UBRQBRSAYMZVFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164246716
• PubChem CID: 3595290

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.5383496
• LogD (pH = 7.4): 4.53835
• Log P: 4.53835
• Molar Refractivity: 121.9688 cm^3
• Polarizability: 47.35076 Å^3
• Polar Surface Area: 51.91 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds