N-benzyl-N-{4-methyl-3-[4-(propan-2-yloxy)phenyl]pentyl}acetamide

• ChemBase ID: 194110
• Molecular Formular: C24H33NO2
• Molecular Mass: 367.52432
• Monoisotopic Mass: 367.2511293
• SMILES: N(C(=O)C)(CCC(c1ccc(OC(C)C)cc1)C(C)C)Cc1ccccc1
• Canonical SMILES: CC(Oc1ccc(cc1)C(C(C)C)CCN(C(=O)C)Cc1ccccc1)C
• InChI: InChI=1S/C24H33NO2/c1-18(2)24(22-11-13-23(14-12-22)27-19(3)4)15-16-25(20(5)26)17-21-9-7-6-8-10-21/h6-14,18-19,24H,15-17H2,1-5H3
• InChIKey: HMULUHVFBQLXOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-{4-methyl-3-[4-(propan-2-yloxy)phenyl]pentyl}acetamide
• IUPAC Traditional name: N-benzyl-N-[3-(4-isopropoxyphenyl)-4-methylpentyl]acetamide

Database IDs

• PubChem SID: 164250020
• PubChem CID: 4370492

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.233558
• LogD (pH = 7.4): 5.2335587
• Log P: 5.2335587
• Molar Refractivity: 112.1693 cm^3
• Polarizability: 43.93951 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

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