N-[3-(dimethylamino)propyl]-4-methyl-3-[4-(propan-2-yloxy)phenyl]pentanamide

• ChemBase ID: 195325
• Molecular Formular: C20H34N2O2
• Molecular Mass: 334.49616
• Monoisotopic Mass: 334.26202834
• SMILES: C(CC(=O)NCCCN(C)C)(c1ccc(OC(C)C)cc1)C(C)C
• Canonical SMILES: CN(CCCNC(=O)CC(c1ccc(cc1)OC(C)C)C(C)C)C
• InChI: InChI=1S/C20H34N2O2/c1-15(2)19(14-20(23)21-12-7-13-22(5)6)17-8-10-18(11-9-17)24-16(3)4/h8-11,15-16,19H,7,12-14H2,1-6H3,(H,21,23)
• InChIKey: IEUNAJQJGWZZRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(dimethylamino)propyl]-4-methyl-3-[4-(propan-2-yloxy)phenyl]pentanamide
• IUPAC Traditional name: N-[3-(dimethylamino)propyl]-3-(4-isopropoxyphenyl)-4-methylpentanamide

Database IDs

• PubChem SID: 164251235
• PubChem CID: 4271739

CALCULATED PROPERTIES

• Acid pKa: 15.859841
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.13863544
• LogD (pH = 7.4): 1.2925655
• Log P: 3.185219
• Molar Refractivity: 100.8988 cm^3
• Polarizability: 39.532135 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds