N-[2H-1,3-benzodioxol-5-yl(phenyl)methyl]-N-(2,2-dimethyloxan-4-yl)acetamide

• ChemBase ID: 222059
• Molecular Formular: C23H27NO4
• Molecular Mass: 381.46478
• Monoisotopic Mass: 381.19400835
• SMILES: N(C1CC(OCC1)(C)C)(C(c1cc2c(OCO2)cc1)c1ccccc1)C(=O)C
• Canonical SMILES: CC(=O)N(C(c1ccc2c(c1)OCO2)c1ccccc1)C1CCOC(C1)(C)C
• InChI: InChI=1S/C23H27NO4/c1-16(25)24(19-11-12-28-23(2,3)14-19)22(17-7-5-4-6-8-17)18-9-10-20-21(13-18)27-15-26-20/h4-10,13,19,22H,11-12,14-15H2,1-3H3
• InChIKey: NVSXDYDTDUZRTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2H-1,3-benzodioxol-5-yl(phenyl)methyl]-N-(2,2-dimethyloxan-4-yl)acetamide
• IUPAC Traditional name: N-[2H-1,3-benzodioxol-5-yl(phenyl)methyl]-N-(2,2-dimethyloxan-4-yl)acetamide

Database IDs

• PubChem SID: 164277969
• PubChem CID: 42648950

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.2073474
• LogD (pH = 7.4): 3.2073483
• Log P: 3.2073483
• Molar Refractivity: 106.4541 cm^3
• Polarizability: 41.96388 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds