N-[3-(2H-1,3-benzodioxol-5-yl)-4-phenylbutyl]-N-{[4-(propan-2-yloxy)phenyl]methyl}propanamide

• ChemBase ID: 193097
• Molecular Formular: C30H35NO4
• Molecular Mass: 473.6032
• Monoisotopic Mass: 473.25660861
• SMILES: N(C(=O)CC)(Cc1ccc(OC(C)C)cc1)CCC(c1cc2c(OCO2)cc1)Cc1ccccc1
• Canonical SMILES: CCC(=O)N(Cc1ccc(cc1)OC(C)C)CCC(c1ccc2c(c1)OCO2)Cc1ccccc1
• InChI: InChI=1S/C30H35NO4/c1-4-30(32)31(20-24-10-13-27(14-11-24)35-22(2)3)17-16-26(18-23-8-6-5-7-9-23)25-12-15-28-29(19-25)34-21-33-28/h5-15,19,22,26H,4,16-18,20-21H2,1-3H3
• InChIKey: UELMJEPSIWTKJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2H-1,3-benzodioxol-5-yl)-4-phenylbutyl]-N-{[4-(propan-2-yloxy)phenyl]methyl}propanamide
• IUPAC Traditional name: N-[3-(2H-1,3-benzodioxol-5-yl)-4-phenylbutyl]-N-[(4-isopropoxyphenyl)methyl]propanamide

Database IDs

• PubChem SID: 164249007
• PubChem CID: 2922076

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 6.404112
• LogD (pH = 7.4): 6.404113
• Log P: 6.404113
• Molar Refractivity: 138.1095 cm^3
• Polarizability: 54.050613 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds