N-{[4-(dimethylamino)phenyl]methyl}-N-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]propanamide

• ChemBase ID: 191157
• Molecular Formular: C26H32N2O3
• Molecular Mass: 420.54388
• Monoisotopic Mass: 420.24129289
• SMILES: C(c1occc1)(c1c(OC)cccc1)CCN(C(=O)CC)Cc1ccc(N(C)C)cc1
• Canonical SMILES: CCC(=O)N(Cc1ccc(cc1)N(C)C)CCC(c1ccccc1OC)c1ccco1
• InChI: InChI=1S/C26H32N2O3/c1-5-26(29)28(19-20-12-14-21(15-13-20)27(2)3)17-16-23(25-11-8-18-31-25)22-9-6-7-10-24(22)30-4/h6-15,18,23H,5,16-17,19H2,1-4H3
• InChIKey: STFAFNSTEPHHIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[4-(dimethylamino)phenyl]methyl}-N-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]propanamide
• IUPAC Traditional name: N-{[4-(dimethylamino)phenyl]methyl}-N-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]propanamide

Database IDs

• PubChem SID: 164247067
• PubChem CID: 3744228

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.5650783
• LogD (pH = 7.4): 4.6520348
• Log P: 4.6532645
• Molar Refractivity: 125.4707 cm^3
• Polarizability: 47.81855 Å^3
• Polar Surface Area: 45.92 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

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