N-[(3,4-dimethoxyphenyl)methyl]-N-{2-[2,2-dimethyl-4-(propan-2-yl)oxan-4-yl]ethyl}acetamide

• ChemBase ID: 197359
• Molecular Formular: C23H37NO4
• Molecular Mass: 391.54418
• Monoisotopic Mass: 391.27225867
• SMILES: C1(CC(OCC1)(C)C)(CCN(C(=O)C)Cc1cc(c(cc1)OC)OC)C(C)C
• Canonical SMILES: COc1cc(ccc1OC)CN(C(=O)C)CCC1(CCOC(C1)(C)C)C(C)C
• InChI: InChI=1S/C23H37NO4/c1-17(2)23(11-13-28-22(4,5)16-23)10-12-24(18(3)25)15-19-8-9-20(26-6)21(14-19)27-7/h8-9,14,17H,10-13,15-16H2,1-7H3
• InChIKey: YLLVUYCHRPRTOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3,4-dimethoxyphenyl)methyl]-N-{2-[2,2-dimethyl-4-(propan-2-yl)oxan-4-yl]ethyl}acetamide
• IUPAC Traditional name: N-[(3,4-dimethoxyphenyl)methyl]-N-[2-(4-isopropyl-2,2-dimethyloxan-4-yl)ethyl]acetamide

Database IDs

• PubChem SID: 164253269
• PubChem CID: 3788092

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.3433824
• LogD (pH = 7.4): 3.3433828
• Log P: 3.3433828
• Molar Refractivity: 112.4515 cm^3
• Polarizability: 44.155323 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

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