N-[3-(dimethylamino)propyl]-3-(furan-2-yl)-4-methylpentanamide

• ChemBase ID: 200566
• Molecular Formular: C15H26N2O2
• Molecular Mass: 266.37914
• Monoisotopic Mass: 266.19942808
• SMILES: c1(C(CC(=O)NCCCN(C)C)C(C)C)occc1
• Canonical SMILES: CN(CCCNC(=O)CC(c1ccco1)C(C)C)C
• InChI: InChI=1S/C15H26N2O2/c1-12(2)13(14-7-5-10-19-14)11-15(18)16-8-6-9-17(3)4/h5,7,10,12-13H,6,8-9,11H2,1-4H3,(H,16,18)
• InChIKey: QZMKMSKCHGOXDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(dimethylamino)propyl]-3-(furan-2-yl)-4-methylpentanamide
• IUPAC Traditional name: N-[3-(dimethylamino)propyl]-3-(furan-2-yl)-4-methylpentanamide

Database IDs

• PubChem SID: 164256476
• PubChem CID: 3778000

CALCULATED PROPERTIES

• Acid pKa: 15.729133
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7720538
• LogD (pH = 7.4): -0.3408533
• Log P: 1.5518003
• Molar Refractivity: 77.7361 cm^3
• Polarizability: 30.18068 Å^3
• Polar Surface Area: 45.48 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds