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

• ChemBase ID: 198534
• Molecular Formular: C25H30N2O2
• Molecular Mass: 390.5179
• Monoisotopic Mass: 390.23072821
• SMILES: N(C(=O)C)(CCC(c1occc1)c1ccc(cc1)C)Cc1ccc(N(C)C)cc1
• Canonical SMILES: Cc1ccc(cc1)C(c1ccco1)CCN(C(=O)C)Cc1ccc(cc1)N(C)C
• InChI: InChI=1S/C25H30N2O2/c1-19-7-11-22(12-8-19)24(25-6-5-17-29-25)15-16-27(20(2)28)18-21-9-13-23(14-10-21)26(3)4/h5-14,17,24H,15-16,18H2,1-4H3
• InChIKey: AQUQALYZMBZYJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164254444
• PubChem CID: 2930249

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.5356355
• LogD (pH = 7.4): 4.6225915
• Log P: 4.6238213
• Molar Refractivity: 119.4218 cm^3
• Polarizability: 45.236332 Å^3
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

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