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

• ChemBase ID: 195322
• Molecular Formular: C21H30N2O2
• Molecular Mass: 342.4751
• Monoisotopic Mass: 342.23072821
• SMILES: N(C(=O)C)(CCC(c1occc1)C(C)C)Cc1ccc(N(C)C)cc1
• Canonical SMILES: CC(C(c1ccco1)CCN(C(=O)C)Cc1ccc(cc1)N(C)C)C
• InChI: InChI=1S/C21H30N2O2/c1-16(2)20(21-7-6-14-25-21)12-13-23(17(3)24)15-18-8-10-19(11-9-18)22(4)5/h6-11,14,16,20H,12-13,15H2,1-5H3
• InChIKey: DIRDKZCTXYKEHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164251232
• PubChem CID: 3695127

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.6199977
• LogD (pH = 7.4): 3.706954
• Log P: 3.7081835
• Molar Refractivity: 103.4352 cm^3
• Polarizability: 39.391033 Å^3
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds