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

• ChemBase ID: 194093
• Molecular Formular: C25H35NO2
• Molecular Mass: 381.5509
• Monoisotopic Mass: 381.26677937
• SMILES: N(C(=O)CC)(CCC(c1ccc(OC(C)C)cc1)C(C)C)Cc1ccccc1
• Canonical SMILES: CCC(=O)N(Cc1ccccc1)CCC(c1ccc(cc1)OC(C)C)C(C)C
• InChI: InChI=1S/C25H35NO2/c1-6-25(27)26(18-21-10-8-7-9-11-21)17-16-24(19(2)3)22-12-14-23(15-13-22)28-20(4)5/h7-15,19-20,24H,6,16-18H2,1-5H3
• InChIKey: LIMHPUIROCNJCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164250003
• PubChem CID: 3771470

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.9340935
• LogD (pH = 7.4): 5.9340944
• Log P: 5.9340944
• Molar Refractivity: 116.7962 cm^3
• Polarizability: 45.785484 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds