N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]propanamide

• ChemBase ID: 189430
• Molecular Formular: C26H31NO4
• Molecular Mass: 421.52864
• Monoisotopic Mass: 421.22530848
• SMILES: N(C(=O)CC)(Cc1cc(c(cc1)OC)OC)CCC(c1occc1)c1ccc(cc1)C
• Canonical SMILES: CCC(=O)N(Cc1ccc(c(c1)OC)OC)CCC(c1ccco1)c1ccc(cc1)C
• InChI: InChI=1S/C26H31NO4/c1-5-26(28)27(18-20-10-13-24(29-3)25(17-20)30-4)15-14-22(23-7-6-16-31-23)21-11-8-19(2)9-12-21/h6-13,16-17,22H,5,14-15,18H2,1-4H3
• InChIKey: FPUYZPNIHMHRCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]propanamide
• IUPAC Traditional name: N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]propanamide

Database IDs

• PubChem SID: 164245340
• PubChem CID: 5159346

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.90097
• LogD (pH = 7.4): 4.9009705
• Log P: 4.9009705
• Molar Refractivity: 122.5465 cm^3
• Polarizability: 47.27441 Å^3
• Polar Surface Area: 51.91 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: 2 Diastereomers
• Classification: Derivatives & analogs of Natural Compounds