N-{[4-(dimethylamino)phenyl]methyl}-N-[3-(furan-2-yl)-4-phenylbutyl]acetamide

• ChemBase ID: 200872
• Molecular Formular: C25H30N2O2
• Molecular Mass: 390.5179
• Monoisotopic Mass: 390.23072821
• SMILES: N(C(=O)C)(Cc1ccc(N(C)C)cc1)CCC(c1occc1)Cc1ccccc1
• Canonical SMILES: CC(=O)N(Cc1ccc(cc1)N(C)C)CCC(c1ccco1)Cc1ccccc1
• InChI: InChI=1S/C25H30N2O2/c1-20(28)27(19-22-11-13-24(14-12-22)26(2)3)16-15-23(25-10-7-17-29-25)18-21-8-5-4-6-9-21/h4-14,17,23H,15-16,18-19H2,1-3H3
• InChIKey: ILBFGINOSPXRGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164256782
• PubChem CID: 2929898

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.4667826
• LogD (pH = 7.4): 4.553739
• Log P: 4.5549684
• Molar Refractivity: 118.9816 cm^3
• Polarizability: 45.23947 Å^3
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

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