N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(2,2-dimethyloxan-4-yl)-4-phenylbutyl]propanamide

• ChemBase ID: 190914
• Molecular Formular: C29H41NO4
• Molecular Mass: 467.64014
• Monoisotopic Mass: 467.3035588
• SMILES: N(C(=O)CC)(Cc1cc(c(cc1)OC)OC)CCC(C1CC(OCC1)(C)C)Cc1ccccc1
• Canonical SMILES: CCC(=O)N(Cc1ccc(c(c1)OC)OC)CCC(C1CCOC(C1)(C)C)Cc1ccccc1
• InChI: InChI=1S/C29H41NO4/c1-6-28(31)30(21-23-12-13-26(32-4)27(19-23)33-5)16-14-24(18-22-10-8-7-9-11-22)25-15-17-34-29(2,3)20-25/h7-13,19,24-25H,6,14-18,20-21H2,1-5H3
• InChIKey: ISYXBEVIZTZMNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(2,2-dimethyloxan-4-yl)-4-phenylbutyl]propanamide
• IUPAC Traditional name: N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(2,2-dimethyloxan-4-yl)-4-phenylbutyl]propanamide

Database IDs

• PubChem SID: 164246824
• PubChem CID: 2940040

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.3222437
• LogD (pH = 7.4): 5.322244
• Log P: 5.322244
• Molar Refractivity: 137.2993 cm^3
• Polarizability: 53.680813 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

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