N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-N-[(2,2-dimethyloxan-4-yl)methyl]propanamide

• ChemBase ID: 191028
• Molecular Formular: C26H41NO3
• Molecular Mass: 415.60864
• Monoisotopic Mass: 415.30864418
• SMILES: C1(CC(OCC1)(C)C)(CCN(C(=O)CC)CC1CC(OCC1)(C)C)c1ccccc1
• Canonical SMILES: CCC(=O)N(CC1CCOC(C1)(C)C)CCC1(CCOC(C1)(C)C)c1ccccc1
• InChI: InChI=1S/C26H41NO3/c1-6-23(28)27(19-21-12-16-29-24(2,3)18-21)15-13-26(22-10-8-7-9-11-22)14-17-30-25(4,5)20-26/h7-11,21H,6,12-20H2,1-5H3
• InChIKey: GKDKSIREVZNNIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-N-[(2,2-dimethyloxan-4-yl)methyl]propanamide
• IUPAC Traditional name: N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-N-[(2,2-dimethyloxan-4-yl)methyl]propanamide

Database IDs

• PubChem SID: 164246938
• PubChem CID: 4527694

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.155938
• LogD (pH = 7.4): 4.155943
• Log P: 4.155943
• Molar Refractivity: 122.8353 cm^3
• Polarizability: 48.29991 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds