N-benzyl-N-[3-(2-ethyl-2-methyloxan-4-yl)-3-(4-methoxyphenyl)propyl]acetamide

• ChemBase ID: 187592
• Molecular Formular: C27H37NO3
• Molecular Mass: 423.58758
• Monoisotopic Mass: 423.27734405
• SMILES: N(C(=O)C)(CCC(C1CC(OCC1)(CC)C)c1ccc(cc1)OC)Cc1ccccc1
• Canonical SMILES: CCC1(C)OCCC(C1)C(c1ccc(cc1)OC)CCN(C(=O)C)Cc1ccccc1
• InChI: InChI=1S/C27H37NO3/c1-5-27(3)19-24(16-18-31-27)26(23-11-13-25(30-4)14-12-23)15-17-28(21(2)29)20-22-9-7-6-8-10-22/h6-14,24,26H,5,15-20H2,1-4H3
• InChIKey: SJNCWJQRIMYGPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-[3-(2-ethyl-2-methyloxan-4-yl)-3-(4-methoxyphenyl)propyl]acetamide
• IUPAC Traditional name: N-benzyl-N-[3-(2-ethyl-2-methyloxan-4-yl)-3-(4-methoxyphenyl)propyl]acetamide

Database IDs

• PubChem SID: 164243502
• PubChem CID: 3499622

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.8573327
• LogD (pH = 7.4): 4.857333
• Log P: 4.857333
• Molar Refractivity: 126.1322 cm^3
• Polarizability: 49.40693 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

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