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

• ChemBase ID: 192761
• Molecular Formular: C25H30N2O2
• Molecular Mass: 390.5179
• Monoisotopic Mass: 390.23072821
• SMILES: N(C(=O)CC)(CCC(c1occc1)c1ccccc1)Cc1ccc(N(C)C)cc1
• Canonical SMILES: CCC(=O)N(Cc1ccc(cc1)N(C)C)CCC(c1ccco1)c1ccccc1
• InChI: InChI=1S/C25H30N2O2/c1-4-25(28)27(19-20-12-14-22(15-13-20)26(2)3)17-16-23(24-11-8-18-29-24)21-9-6-5-7-10-21/h5-15,18,23H,4,16-17,19H2,1-3H3
• InChIKey: DGJDFSUKHKDOAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164248671
• PubChem CID: 3755342

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.7227497
• LogD (pH = 7.4): 4.809706
• Log P: 4.8109355
• Molar Refractivity: 119.0075 cm^3
• Polarizability: 45.31542 Å^3
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds